N-[(3R,4R)-3-hydroxy-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide

C18H23N5O3 — CID 70779928

IUPACN-[(3R,4R)-3-hydroxy-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOCc1ncc(CN2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)cn1
InChIInChI=1S/C18H23N5O3/c1-26-12-17-20-7-13(8-21-17)10-23-6-4-15(16(24)11-23)22-18(25)14-3-2-5-19-9-14/h2-3,5,7-9,15-16,24H,4,6,10-12H2,1H3,(H,22,25)/t15-,16-/m1/s1
InChIKeyXTJBZXLHPUOBTR-HZPDHXFCSA-N
MW357.41 g/mol
LogP0.38
Rot. Bonds6

About N-[(3R,4R)-3-hydroxy-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide

N-[(3R,4R)-3-hydroxy-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 70779928) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID70779928
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[(3R,4R)-3-hydroxy-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOCc1ncc(CN2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)cn1
InChIInChI=1S/C18H23N5O3/c1-26-12-17-20-7-13(8-21-17)10-23-6-4-15(16(24)11-23)22-18(25)14-3-2-5-19-9-14/h2-3,5,7-9,15-16,24H,4,6,10-12H2,1H3,(H,22,25)/t15-,16-/m1/s1
InChIKeyXTJBZXLHPUOBTR-HZPDHXFCSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 70779928) is N-[(3R,4R)-3-hydroxy-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide is COCc1ncc(CN2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)cn1.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is XTJBZXLHPUOBTR-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-26-12-17-20-7-13(8-21-17)10-23-6-4-15(16(24)11-23)22-18(25)14-3-2-5-19-9-14/h2-3,5,7-9,15-16,24H,4,6,10-12H2,1H3,(H,22,25)/t15-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
N-[(3R,4R)-3-hydroxy-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 70779928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).