(3S)-N-(5-chloro-2-pyridinyl)-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide

C16H18ClN5O2 — CID 124880924

IUPAC(3S)-N-(5-chloro-2-pyridinyl)-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
SMILESCOc1ccnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1
InChIInChI=1S/C16H18ClN5O2/c1-24-14-6-7-18-16(21-14)22-8-2-3-11(10-22)15(23)20-13-5-4-12(17)9-19-13/h4-7,9,11H,2-3,8,10H2,1H3,(H,19,20,23)/t11-/m0/s1
InChIKeyCRIYXJNIIAZOIW-NSHDSACASA-N
MW347.81 g/mol
LogP2.39
Rot. Bonds4

About (3S)-N-(5-chloro-2-pyridinyl)-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide

(3S)-N-(5-chloro-2-pyridinyl)-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 124880924) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is (3S)-N-(5-chloro-2-pyridinyl)-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-chloro-2-pyridinyl)-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID124880924
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name(3S)-N-(5-chloro-2-pyridinyl)-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
SMILESCOc1ccnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1
InChIInChI=1S/C16H18ClN5O2/c1-24-14-6-7-18-16(21-14)22-8-2-3-11(10-22)15(23)20-13-5-4-12(17)9-19-13/h4-7,9,11H,2-3,8,10H2,1H3,(H,19,20,23)/t11-/m0/s1
InChIKeyCRIYXJNIIAZOIW-NSHDSACASA-N
XLogP2.39
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-N-(5-chloro-2-pyridinyl)-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-tert-butyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
CID 166600760
1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133359806
1-(4-amino-5-nitropyrimidin-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133270087
N-[5-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97343986
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-3-carboxamide
CID 55922538
1-(1H-benzimidazol-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133409751
(3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 34970341
1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133400612
N-(5-chloro-2-pyridinyl)-1-(5-cyanopyrazin-2-yl)piperidine-3-carboxamide
CID 133291293
N-(5-chloro-2-pyridinyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 43034610
(3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 94135862

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-chloro-2-pyridinyl)-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-chloro-2-pyridinyl)-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide (CID 124880924) is (3S)-N-(5-chloro-2-pyridinyl)-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-chloro-2-pyridinyl)-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-chloro-2-pyridinyl)-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide is COc1ccnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1.
What is the InChIKey of (3S)-N-(5-chloro-2-pyridinyl)-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is CRIYXJNIIAZOIW-NSHDSACASA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-24-14-6-7-18-16(21-14)22-8-2-3-11(10-22)15(23)20-13-5-4-12(17)9-19-13/h4-7,9,11H,2-3,8,10H2,1H3,(H,19,20,23)/t11-/m0/s1.
What are the key properties of (3S)-N-(5-chloro-2-pyridinyl)-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide?
(3S)-N-(5-chloro-2-pyridinyl)-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 347.81 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-chloro-2-pyridinyl)-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 124880924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).