N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-2-(4-oxo-1-pyridinyl)pyrimidine-4-carboxamide

C23H26N6O4 — CID 56601937

IUPACN-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-2-(4-oxo-1-pyridinyl)pyrimidine-4-carboxamide
SMILESCC(C)[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccnc(-n3ccc(=O)cc3)n2)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C23H26N6O4/c1-13(2)21-20(31)16(24)11-19(33-21)15-3-7-25-12-18(15)27-22(32)17-4-8-26-23(28-17)29-9-5-14(30)6-10-29/h3-10,12-13,16,19-21,31H,11,24H2,1-2H3,(H,27,32)/t16-,19-,20+,21-/m1/s1
InChIKeyKGEXQXRSJCIHRT-RZXSNQJFSA-N
MW450.50 g/mol
LogP1.45
Rot. Bonds5

About N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-2-(4-oxo-1-pyridinyl)pyrimidine-4-carboxamide

N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-2-(4-oxo-1-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 56601937) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-2-(4-oxo-1-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-2-(4-oxo-1-pyridinyl)pyrimidine-4-carboxamide
PubChem CID56601937
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC NameN-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-2-(4-oxo-1-pyridinyl)pyrimidine-4-carboxamide
SMILESCC(C)[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccnc(-n3ccc(=O)cc3)n2)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C23H26N6O4/c1-13(2)21-20(31)16(24)11-19(33-21)15-3-7-25-12-18(15)27-22(32)17-4-8-26-23(28-17)29-9-5-14(30)6-10-29/h3-10,12-13,16,19-21,31H,11,24H2,1-2H3,(H,27,32)/t16-,19-,20+,21-/m1/s1
InChIKeyKGEXQXRSJCIHRT-RZXSNQJFSA-N
XLogP1.45
TPSA145.25 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-2-(4-oxo-1-pyridinyl)pyrimidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-amino-6-isopropyl-N-[cis-4-(pyridin-2-ylmethoxy)tetrahydro-2H-pyran-3-yl]pyrimidine-4-carboxamide
CID 90650185
N-[(3R,4S)-3-phenylmethoxyoxan-4-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 164636601
5-amino-2-(2,6-difluorophenyl)-N-[4-[(5S,7S)-7-hydroxy-8-methylidene-4-oxaspiro[2.5]octan-5-yl]-3-pyridinyl]pyrimidine-4-carboxamide
CID 56599947
5-amino-2-(2,6-difluorophenyl)-N-[4-[(5R,7R)-7-hydroxy-8-methylidene-4-oxaspiro[2.5]octan-5-yl]-3-pyridinyl]pyrimidine-4-carboxamide
CID 56599949
5-amino-2-(2,6-difluorophenyl)-N-[4-[(2R,4R,5S,6R)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]pyrimidine-4-carboxamide
CID 56600142
N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 56600948
N-[4-[(2R,4R,4aS,7aR)-4,4a-dihydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl]-3-pyridinyl]-5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 56601335
N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
CID 56601936
6-(6-amino-2-fluoro-3-pyridinyl)-N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 56601938
N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-5,6-dimethyloxan-2-yl]-3-pyridinyl]-6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridine-2-carboxamide
CID 56602148
[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]-[6-[2-[(2R,6S)-6-[4-(trifluoromethyl)phenyl]oxan-2-yl]ethyl]pyrimidin-4-yl]methanone
CID 58035041
[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]-[6-[2-[(2R,6S)-6-[4-(trifluoromethyl)phenyl]oxan-2-yl]ethyl]pyrimidin-4-yl]methanone
CID 58035395

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-2-(4-oxo-1-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-2-(4-oxo-1-pyridinyl)pyrimidine-4-carboxamide (CID 56601937) is N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-2-(4-oxo-1-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-2-(4-oxo-1-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-2-(4-oxo-1-pyridinyl)pyrimidine-4-carboxamide is CC(C)[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccnc(-n3ccc(=O)cc3)n2)C[C@@H](N)[C@@H]1O.
What is the InChIKey of N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-2-(4-oxo-1-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is KGEXQXRSJCIHRT-RZXSNQJFSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-13(2)21-20(31)16(24)11-19(33-21)15-3-7-25-12-18(15)27-22(32)17-4-8-26-23(28-17)29-9-5-14(30)6-10-29/h3-10,12-13,16,19-21,31H,11,24H2,1-2H3,(H,27,32)/t16-,19-,20+,21-/m1/s1.
What are the key properties of N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-2-(4-oxo-1-pyridinyl)pyrimidine-4-carboxamide?
N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-2-(4-oxo-1-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-2-(4-oxo-1-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 56601937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).