5-hydroxy-N,2-dimethyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide

C18H23N5O3 — CID 125172349

IUPAC5-hydroxy-N,2-dimethyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCNc2cc([C@H]3CCOC3)ncn2)c(O)cn1
InChIInChI=1S/C18H23N5O3/c1-12-7-14(16(24)9-20-12)18(25)23(2)5-4-19-17-8-15(21-11-22-17)13-3-6-26-10-13/h7-9,11,13,24H,3-6,10H2,1-2H3,(H,19,21,22)/t13-/m0/s1
InChIKeyRUBMLAQJUXJLEC-ZDUSSCGKSA-N
MW357.41 g/mol
LogP1.57
Rot. Bonds6

About 5-hydroxy-N,2-dimethyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide

5-hydroxy-N,2-dimethyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide (PubChem CID 125172349) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-hydroxy-N,2-dimethyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N,2-dimethyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide
PubChem CID125172349
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name5-hydroxy-N,2-dimethyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCNc2cc([C@H]3CCOC3)ncn2)c(O)cn1
InChIInChI=1S/C18H23N5O3/c1-12-7-14(16(24)9-20-12)18(25)23(2)5-4-19-17-8-15(21-11-22-17)13-3-6-26-10-13/h7-9,11,13,24H,3-6,10H2,1-2H3,(H,19,21,22)/t13-/m0/s1
InChIKeyRUBMLAQJUXJLEC-ZDUSSCGKSA-N
XLogP1.57
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-hydroxy-N,2-dimethyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N,2,4-trimethyl-N-[2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 119067014
N-methyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-2H-benzotriazole-5-carboxamide
CID 126429407
N-methyl-N-[2-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]-1H-indole-5-carboxamide
CID 126440751
4-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]butanoic acid
CID 118770776
2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
CID 126848755
N-[2-(2-methylphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126453717
N'-[(3-cyclopropylimidazol-4-yl)methyl]-N'-methyl-N-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]ethane-1,2-diamine
CID 125177015
N'-methyl-N-[6-(oxolan-3-yl)pyrimidin-4-yl]-N'-(quinolin-2-ylmethyl)ethane-1,2-diamine
CID 119064821
3,5-dimethyl-2-[[methyl-[2-[[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]amino]methyl]-1H-pyridin-4-one
CID 125160132
N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 126848768
N-(3-methyl-4-pyridinyl)-N'-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]ethane-1,2-diamine
CID 126452694
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126427543

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N,2-dimethyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide?
The IUPAC name of 5-hydroxy-N,2-dimethyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide (CID 125172349) is 5-hydroxy-N,2-dimethyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-N,2-dimethyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 5-hydroxy-N,2-dimethyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide is Cc1cc(C(=O)N(C)CCNc2cc([C@H]3CCOC3)ncn2)c(O)cn1.
What is the InChIKey of 5-hydroxy-N,2-dimethyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide?
The InChIKey is RUBMLAQJUXJLEC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12-7-14(16(24)9-20-12)18(25)23(2)5-4-19-17-8-15(21-11-22-17)13-3-6-26-10-13/h7-9,11,13,24H,3-6,10H2,1-2H3,(H,19,21,22)/t13-/m0/s1.
What are the key properties of 5-hydroxy-N,2-dimethyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide?
5-hydroxy-N,2-dimethyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N,2-dimethyl-N-[2-[[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 125172349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).