(2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone

C24H27N5O — CID 124958014

IUPAC(2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1ccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)c4cccnc4N)C3)c2)cc1
InChIInChI=1S/C24H27N5O/c1-16-7-9-19(10-8-16)28-20-13-17(2)27-22(14-20)18-5-4-12-29(15-18)24(30)21-6-3-11-26-23(21)25/h3,6-11,13-14,18H,4-5,12,15H2,1-2H3,(H2,25,26)(H,27,28)/t18-/m0/s1
InChIKeyGDCWXPWAYWJIOK-SFHVURJKSA-N
MW401.51 g/mol
LogP4.44
Rot. Bonds4

About (2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone

(2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 124958014) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID124958014
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name(2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1ccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)c4cccnc4N)C3)c2)cc1
InChIInChI=1S/C24H27N5O/c1-16-7-9-19(10-8-16)28-20-13-17(2)27-22(14-20)18-5-4-12-29(15-18)24(30)21-6-3-11-26-23(21)25/h3,6-11,13-14,18H,4-5,12,15H2,1-2H3,(H2,25,26)(H,27,28)/t18-/m0/s1
InChIKeyGDCWXPWAYWJIOK-SFHVURJKSA-N
XLogP4.44
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone
CID 155983028
[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124966610
[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971967
cyclopentyl-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 110264956
1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 155983027
[(3R)-3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 125026598
(2-fluorophenyl)-[3-[2-(4-methylanilino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53139994
[(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone
CID 95813924
(3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide
CID 124970731
(2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 102969309
[(3S)-3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone
CID 95834919
[(3S)-3-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971390

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone (CID 124958014) is (2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone is Cc1ccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)c4cccnc4N)C3)c2)cc1.
What is the InChIKey of (2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is GDCWXPWAYWJIOK-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27N5O/c1-16-7-9-19(10-8-16)28-20-13-17(2)27-22(14-20)18-5-4-12-29(15-18)24(30)21-6-3-11-26-23(21)25/h3,6-11,13-14,18H,4-5,12,15H2,1-2H3,(H2,25,26)(H,27,28)/t18-/m0/s1.
What are the key properties of (2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone?
(2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 401.51 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 124958014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).