N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide

C17H18N4O4 — CID 146046118

IUPACN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCc1nc(-c2cccnc2)ncc1C(=O)N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InChIInChI=1S/C17H18N4O4/c1-9-11(6-19-16(20-9)10-3-2-4-18-5-10)17(23)21-12-7-24-15-13(22)8-25-14(12)15/h2-6,12-15,22H,7-8H2,1H3,(H,21,23)/t12-,13-,14-,15-/m1/s1
InChIKeyBHIIHNZWTMVEJR-KBUPBQIOSA-N
MW342.36 g/mol
LogP0.10
Rot. Bonds3

About N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide

N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 146046118) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID146046118
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCc1nc(-c2cccnc2)ncc1C(=O)N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InChIInChI=1S/C17H18N4O4/c1-9-11(6-19-16(20-9)10-3-2-4-18-5-10)17(23)21-12-7-24-15-13(22)8-25-14(12)15/h2-6,12-15,22H,7-8H2,1H3,(H,21,23)/t12-,13-,14-,15-/m1/s1
InChIKeyBHIIHNZWTMVEJR-KBUPBQIOSA-N
XLogP0.10
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[(3S,3aR,6S,6aR)-3-[(4-tert-butylpyrimidin-2-yl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-methylbenzamide
CID 11912927
N-[(3S,3aR,6S,6aR)-3-[(4-cyclopentylpyrimidin-2-yl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide
CID 11913025
N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)oxolan-2-yl]methyl]benzamide
CID 28962027
N-[rac-(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 91778696
N-[(3S,3aR,6S,6aR)-3-[(4-tert-butylpyrimidin-2-yl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide
CID 11912918
2,4-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylpyrimidine-5-carboxamide
CID 164638496
N-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]-6,8-dioxabicyclo[3.2.1]octan-1-yl]methyl]-2-phenylpyrimidine-5-carboxamide
CID 176953128
N-[1-[(1S,3R,4R,7S)-1-ethyl-7-hydroxy-5-[4-(trifluoromethyl)pyrimidin-2-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 163978093
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(pyrimidin-4-ylmethylamino)ethyl]oxan-3-yl]pyridine-3-carboxamide
CID 53382632
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(pyrimidin-4-ylmethylamino)ethyl]oxan-3-yl]pyridine-3-carboxamide
CID 54641830
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(pyrimidin-4-ylmethylamino)ethyl]oxan-3-yl]pyridine-3-carboxamide
CID 54641831
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(pyrimidin-4-ylmethylamino)ethyl]oxan-3-yl]pyridine-3-carboxamide
CID 54641832

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide (CID 146046118) is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide is Cc1nc(-c2cccnc2)ncc1C(=O)N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O.
What is the InChIKey of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is BHIIHNZWTMVEJR-KBUPBQIOSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-9-11(6-19-16(20-9)10-3-2-4-18-5-10)17(23)21-12-7-24-15-13(22)8-25-14(12)15/h2-6,12-15,22H,7-8H2,1H3,(H,21,23)/t12-,13-,14-,15-/m1/s1.
What are the key properties of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 146046118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).