4-cyclopropyl-6-[6-(1,4-diazepan-1-yl)-3-pyridinyl]pyridin-2-amine

C18H23N5 — CID 141335696

IUPAC4-cyclopropyl-6-[6-(1,4-diazepan-1-yl)-3-pyridinyl]pyridin-2-amine
SMILESNc1cc(C2CC2)cc(-c2ccc(N3CCCNCC3)nc2)n1
InChIInChI=1S/C18H23N5/c19-17-11-15(13-2-3-13)10-16(22-17)14-4-5-18(21-12-14)23-8-1-6-20-7-9-23/h4-5,10-13,20H,1-3,6-9H2,(H2,19,22)
InChIKeyCCVHOJNNQQCHMS-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.40
Rot. Bonds3

About 4-cyclopropyl-6-[6-(1,4-diazepan-1-yl)-3-pyridinyl]pyridin-2-amine

4-cyclopropyl-6-[6-(1,4-diazepan-1-yl)-3-pyridinyl]pyridin-2-amine (PubChem CID 141335696) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-cyclopropyl-6-[6-(1,4-diazepan-1-yl)-3-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-6-[6-(1,4-diazepan-1-yl)-3-pyridinyl]pyridin-2-amine
PubChem CID141335696
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name4-cyclopropyl-6-[6-(1,4-diazepan-1-yl)-3-pyridinyl]pyridin-2-amine
SMILESNc1cc(C2CC2)cc(-c2ccc(N3CCCNCC3)nc2)n1
InChIInChI=1S/C18H23N5/c19-17-11-15(13-2-3-13)10-16(22-17)14-4-5-18(21-12-14)23-8-1-6-20-7-9-23/h4-5,10-13,20H,1-3,6-9H2,(H2,19,22)
InChIKeyCCVHOJNNQQCHMS-UHFFFAOYSA-N
XLogP2.40
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(6-chloro-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperazine
CID 86694860
2-[[4-cyclopropyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-pyridinyl]amino]pyridine-4-carbonitrile;hydrochloride
CID 86694846
5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 141215033
5-piperidin-4-yl-2-pyrrolidin-1-ylpyridine;dihydrochloride
CID 163230170
(2-amino-5-cyclopropyl-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 158169034
2-(azetidin-1-yl)-5-cyclopropylpyridine
CID 160845056
4-[[5-(6-amino-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]amino]cyclohexan-1-ol
CID 141335699
(3S)-1-[5-(4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperidin-3-ol
CID 141335687
1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
CID 23133533
2-[[4-cyclopropyl-6-[6-(2-oxopiperazin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 56970945
1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 2760779
1-(5-methoxy-2-pyridinyl)-1,4-diazepane
CID 83848456

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[6-(1,4-diazepan-1-yl)-3-pyridinyl]pyridin-2-amine?
The IUPAC name of 4-cyclopropyl-6-[6-(1,4-diazepan-1-yl)-3-pyridinyl]pyridin-2-amine (CID 141335696) is 4-cyclopropyl-6-[6-(1,4-diazepan-1-yl)-3-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 4-cyclopropyl-6-[6-(1,4-diazepan-1-yl)-3-pyridinyl]pyridin-2-amine?
The canonical SMILES for 4-cyclopropyl-6-[6-(1,4-diazepan-1-yl)-3-pyridinyl]pyridin-2-amine is Nc1cc(C2CC2)cc(-c2ccc(N3CCCNCC3)nc2)n1.
What is the InChIKey of 4-cyclopropyl-6-[6-(1,4-diazepan-1-yl)-3-pyridinyl]pyridin-2-amine?
The InChIKey is CCVHOJNNQQCHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c19-17-11-15(13-2-3-13)10-16(22-17)14-4-5-18(21-12-14)23-8-1-6-20-7-9-23/h4-5,10-13,20H,1-3,6-9H2,(H2,19,22).
What are the key properties of 4-cyclopropyl-6-[6-(1,4-diazepan-1-yl)-3-pyridinyl]pyridin-2-amine?
4-cyclopropyl-6-[6-(1,4-diazepan-1-yl)-3-pyridinyl]pyridin-2-amine has a molecular weight of 309.42 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[6-(1,4-diazepan-1-yl)-3-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 141335696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).