5-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-3-carboxamide

C24H29N5O3 — CID 166705865

IUPAC5-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-3-carboxamide
SMILESCCC1(CC)CC(=O)N(Cc2cncc(C(=O)N[C@H]3CCOc4ccccc43)c2)C(N)=N1
InChIInChI=1S/C24H29N5O3/c1-3-24(4-2)12-21(30)29(23(25)28-24)15-16-11-17(14-26-13-16)22(31)27-19-9-10-32-20-8-6-5-7-18(19)20/h5-8,11,13-14,19H,3-4,9-10,12,15H2,1-2H3,(H2,25,28)(H,27,31)/t19-/m0/s1
InChIKeyZIWBAFRCZCWXLD-IBGZPJMESA-N
MW435.53 g/mol
LogP2.94
Rot. Bonds6

About 5-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-3-carboxamide

5-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-3-carboxamide (PubChem CID 166705865) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 5-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-3-carboxamide
PubChem CID166705865
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name5-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-3-carboxamide
SMILESCCC1(CC)CC(=O)N(Cc2cncc(C(=O)N[C@H]3CCOc4ccccc43)c2)C(N)=N1
InChIInChI=1S/C24H29N5O3/c1-3-24(4-2)12-21(30)29(23(25)28-24)15-16-11-17(14-26-13-16)22(31)27-19-9-10-32-20-8-6-5-7-18(19)20/h5-8,11,13-14,19H,3-4,9-10,12,15H2,1-2H3,(H2,25,28)(H,27,31)/t19-/m0/s1
InChIKeyZIWBAFRCZCWXLD-IBGZPJMESA-N
XLogP2.94
TPSA109.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-3-carboxamide (CID 166705865) is 5-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-3-carboxamide is CCC1(CC)CC(=O)N(Cc2cncc(C(=O)N[C@H]3CCOc4ccccc43)c2)C(N)=N1.
What is the InChIKey of 5-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-3-carboxamide?
The InChIKey is ZIWBAFRCZCWXLD-IBGZPJMESA-N. The full InChI is InChI=1S/C24H29N5O3/c1-3-24(4-2)12-21(30)29(23(25)28-24)15-16-11-17(14-26-13-16)22(31)27-19-9-10-32-20-8-6-5-7-18(19)20/h5-8,11,13-14,19H,3-4,9-10,12,15H2,1-2H3,(H2,25,28)(H,27,31)/t19-/m0/s1.
What are the key properties of 5-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-3-carboxamide?
5-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-3-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 166705865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).