N-[[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]methyl]-3-chloropyridine-4-carboxamide

C16H19ClN6O — CID 131891940

IUPACN-[[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]methyl]-3-chloropyridine-4-carboxamide
SMILESNc1ccnc(N2CCCC(CNC(=O)c3ccncc3Cl)C2)n1
InChIInChI=1S/C16H19ClN6O/c17-13-9-19-5-3-12(13)15(24)21-8-11-2-1-7-23(10-11)16-20-6-4-14(18)22-16/h3-6,9,11H,1-2,7-8,10H2,(H,21,24)(H2,18,20,22)
InChIKeyZWLOLXHACXGUBN-UHFFFAOYSA-N
MW346.82 g/mol
LogP1.75
Rot. Bonds4

About N-[[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]methyl]-3-chloropyridine-4-carboxamide

N-[[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]methyl]-3-chloropyridine-4-carboxamide (PubChem CID 131891940) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is N-[[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]methyl]-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]methyl]-3-chloropyridine-4-carboxamide
PubChem CID131891940
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC NameN-[[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]methyl]-3-chloropyridine-4-carboxamide
SMILESNc1ccnc(N2CCCC(CNC(=O)c3ccncc3Cl)C2)n1
InChIInChI=1S/C16H19ClN6O/c17-13-9-19-5-3-12(13)15(24)21-8-11-2-1-7-23(10-11)16-20-6-4-14(18)22-16/h3-6,9,11H,1-2,7-8,10H2,(H,21,24)(H2,18,20,22)
InChIKeyZWLOLXHACXGUBN-UHFFFAOYSA-N
XLogP1.75
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
CID 66484887
3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide
CID 106132458
2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol
CID 107229189
3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106123323
N-[(3-bromocyclohexyl)methyl]-3-chloropyridine-4-carboxamide
CID 106133233
3-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
CID 124607965
5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 90648732
N-[(4-bromocyclohexyl)methyl]-3-chloropyridine-4-carboxamide
CID 106134901
2-[(3R)-3-prop-2-enylpiperidin-1-yl]pyrimidin-4-amine
CID 156802230
4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 81225483
3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide
CID 80564619
2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814280

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]methyl]-3-chloropyridine-4-carboxamide?
The IUPAC name of N-[[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]methyl]-3-chloropyridine-4-carboxamide (CID 131891940) is N-[[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]methyl]-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-[[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]methyl]-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-[[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]methyl]-3-chloropyridine-4-carboxamide is Nc1ccnc(N2CCCC(CNC(=O)c3ccncc3Cl)C2)n1.
What is the InChIKey of N-[[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]methyl]-3-chloropyridine-4-carboxamide?
The InChIKey is ZWLOLXHACXGUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O/c17-13-9-19-5-3-12(13)15(24)21-8-11-2-1-7-23(10-11)16-20-6-4-14(18)22-16/h3-6,9,11H,1-2,7-8,10H2,(H,21,24)(H2,18,20,22).
What are the key properties of N-[[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]methyl]-3-chloropyridine-4-carboxamide?
N-[[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]methyl]-3-chloropyridine-4-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]methyl]-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 131891940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).