N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-3-methylimidazole-4-carboxamide

C16H19ClFN5O — CID 131949189

IUPACN-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCC1CCN(c2ncc(Cl)cc2F)CC1
InChIInChI=1S/C16H19ClFN5O/c1-22-10-19-9-14(22)16(24)21-7-11-2-4-23(5-3-11)15-13(18)6-12(17)8-20-15/h6,8-11H,2-5,7H2,1H3,(H,21,24)
InChIKeyYXCGKYYGGIYTPC-UHFFFAOYSA-N
MW351.81 g/mol
LogP2.25
Rot. Bonds4

About N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-3-methylimidazole-4-carboxamide

N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-3-methylimidazole-4-carboxamide (PubChem CID 131949189) has the molecular formula C16H19ClFN5O and a molecular weight of 351.81 g/mol. Its IUPAC name is N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-3-methylimidazole-4-carboxamide
PubChem CID131949189
Molecular FormulaC16H19ClFN5O
Molecular Weight351.81 g/mol
Exact Mass351.13
IUPAC NameN-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCC1CCN(c2ncc(Cl)cc2F)CC1
InChIInChI=1S/C16H19ClFN5O/c1-22-10-19-9-14(22)16(24)21-7-11-2-4-23(5-3-11)15-13(18)6-12(17)8-20-15/h6,8-11H,2-5,7H2,1H3,(H,21,24)
InChIKeyYXCGKYYGGIYTPC-UHFFFAOYSA-N
XLogP2.25
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-3-methylimidazole-4-carboxamide (CID 131949189) is N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)NCC1CCN(c2ncc(Cl)cc2F)CC1.
What is the InChIKey of N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-3-methylimidazole-4-carboxamide?
The InChIKey is YXCGKYYGGIYTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN5O/c1-22-10-19-9-14(22)16(24)21-7-11-2-4-23(5-3-11)15-13(18)6-12(17)8-20-15/h6,8-11H,2-5,7H2,1H3,(H,21,24).
What are the key properties of N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-3-methylimidazole-4-carboxamide?
N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-3-methylimidazole-4-carboxamide has a molecular weight of 351.81 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 131949189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).