5-chloro-N-[(3S)-piperidin-3-yl]-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine

C21H23ClN6 — CID 70793949

IUPAC5-chloro-N-[(3S)-piperidin-3-yl]-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine
SMILESClc1cnc(N[C@H]2CCCNC2)cc1-c1cccc(NCc2ccncc2)n1
InChIInChI=1S/C21H23ClN6/c22-18-14-26-21(27-16-3-2-8-24-13-16)11-17(18)19-4-1-5-20(28-19)25-12-15-6-9-23-10-7-15/h1,4-7,9-11,14,16,24H,2-3,8,12-13H2,(H,25,28)(H,26,27)/t16-/m0/s1
InChIKeyOQZWJLGCIKHVRP-INIZCTEOSA-N
MW394.91 g/mol
LogP3.97
Rot. Bonds6

About 5-chloro-N-[(3S)-piperidin-3-yl]-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine

5-chloro-N-[(3S)-piperidin-3-yl]-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine (PubChem CID 70793949) has the molecular formula C21H23ClN6 and a molecular weight of 394.91 g/mol. Its IUPAC name is 5-chloro-N-[(3S)-piperidin-3-yl]-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(3S)-piperidin-3-yl]-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine
PubChem CID70793949
Molecular FormulaC21H23ClN6
Molecular Weight394.91 g/mol
Exact Mass394.17
IUPAC Name5-chloro-N-[(3S)-piperidin-3-yl]-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine
SMILESClc1cnc(N[C@H]2CCCNC2)cc1-c1cccc(NCc2ccncc2)n1
InChIInChI=1S/C21H23ClN6/c22-18-14-26-21(27-16-3-2-8-24-13-16)11-17(18)19-4-1-5-20(28-19)25-12-15-6-9-23-10-7-15/h1,4-7,9-11,14,16,24H,2-3,8,12-13H2,(H,25,28)(H,26,27)/t16-/m0/s1
InChIKeyOQZWJLGCIKHVRP-INIZCTEOSA-N
XLogP3.97
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[(3S)-piperidin-3-yl]-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine with MolForge

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Related Compounds

(3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 67221821
5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 70795260
6-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 110271375
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 77201397
N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 77242911
5-chloro-4-[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-N-[4-(methylideneamino)cyclohexyl]pyridin-2-amine
CID 123903572
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(oxan-4-yl)pyridin-2-amine
CID 70794022
5-chloro-N-cyclohex-3-en-1-yl-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine
CID 66937052
6-[2-[3-[4-(aminomethyl)cyclohexyl]propyl]-5-chloro-4-pyridinyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 123952156
5-chloro-N-cyclohexyl-4-[6-(oxan-4-ylamino)-2-pyridinyl]pyridin-2-amine
CID 70795336
cis-(1S,3R)-3-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 66936933
4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine
CID 77460758

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3S)-piperidin-3-yl]-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-[(3S)-piperidin-3-yl]-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine (CID 70793949) is 5-chloro-N-[(3S)-piperidin-3-yl]-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(3S)-piperidin-3-yl]-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(3S)-piperidin-3-yl]-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine is Clc1cnc(N[C@H]2CCCNC2)cc1-c1cccc(NCc2ccncc2)n1.
What is the InChIKey of 5-chloro-N-[(3S)-piperidin-3-yl]-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine?
The InChIKey is OQZWJLGCIKHVRP-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23ClN6/c22-18-14-26-21(27-16-3-2-8-24-13-16)11-17(18)19-4-1-5-20(28-19)25-12-15-6-9-23-10-7-15/h1,4-7,9-11,14,16,24H,2-3,8,12-13H2,(H,25,28)(H,26,27)/t16-/m0/s1.
What are the key properties of 5-chloro-N-[(3S)-piperidin-3-yl]-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine?
5-chloro-N-[(3S)-piperidin-3-yl]-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine has a molecular weight of 394.91 g/mol, XLogP of 3.97, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3S)-piperidin-3-yl]-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 70793949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).