N-[4-(aminomethyl)cyclohexyl]-4-[6-(benzylamino)-2-pyridinyl]-5-chloropyridin-2-amine

C24H28ClN5 — CID 70793944

IUPACN-[4-(aminomethyl)cyclohexyl]-4-[6-(benzylamino)-2-pyridinyl]-5-chloropyridin-2-amine
SMILESNCC1CCC(Nc2cc(-c3cccc(NCc4ccccc4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C24H28ClN5/c25-21-16-28-24(29-19-11-9-17(14-26)10-12-19)13-20(21)22-7-4-8-23(30-22)27-15-18-5-2-1-3-6-18/h1-8,13,16-17,19H,9-12,14-15,26H2,(H,27,30)(H,28,29)
InChIKeyJDSQHSZBUZZGJW-UHFFFAOYSA-N
MW421.98 g/mol
LogP5.34
Rot. Bonds7

About N-[4-(aminomethyl)cyclohexyl]-4-[6-(benzylamino)-2-pyridinyl]-5-chloropyridin-2-amine

N-[4-(aminomethyl)cyclohexyl]-4-[6-(benzylamino)-2-pyridinyl]-5-chloropyridin-2-amine (PubChem CID 70793944) has the molecular formula C24H28ClN5 and a molecular weight of 421.98 g/mol. Its IUPAC name is N-[4-(aminomethyl)cyclohexyl]-4-[6-(benzylamino)-2-pyridinyl]-5-chloropyridin-2-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)cyclohexyl]-4-[6-(benzylamino)-2-pyridinyl]-5-chloropyridin-2-amine
PubChem CID70793944
Molecular FormulaC24H28ClN5
Molecular Weight421.98 g/mol
Exact Mass421.20
IUPAC NameN-[4-(aminomethyl)cyclohexyl]-4-[6-(benzylamino)-2-pyridinyl]-5-chloropyridin-2-amine
SMILESNCC1CCC(Nc2cc(-c3cccc(NCc4ccccc4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C24H28ClN5/c25-21-16-28-24(29-19-11-9-17(14-26)10-12-19)13-20(21)22-7-4-8-23(30-22)27-15-18-5-2-1-3-6-18/h1-8,13,16-17,19H,9-12,14-15,26H2,(H,27,30)(H,28,29)
InChIKeyJDSQHSZBUZZGJW-UHFFFAOYSA-N
XLogP5.34
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.98
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)cyclohexyl]-4-[6-(benzylamino)-2-pyridinyl]-5-chloropyridin-2-amine?
The IUPAC name of N-[4-(aminomethyl)cyclohexyl]-4-[6-(benzylamino)-2-pyridinyl]-5-chloropyridin-2-amine (CID 70793944) is N-[4-(aminomethyl)cyclohexyl]-4-[6-(benzylamino)-2-pyridinyl]-5-chloropyridin-2-amine.
What is the SMILES notation for N-[4-(aminomethyl)cyclohexyl]-4-[6-(benzylamino)-2-pyridinyl]-5-chloropyridin-2-amine?
The canonical SMILES for N-[4-(aminomethyl)cyclohexyl]-4-[6-(benzylamino)-2-pyridinyl]-5-chloropyridin-2-amine is NCC1CCC(Nc2cc(-c3cccc(NCc4ccccc4)n3)c(Cl)cn2)CC1.
What is the InChIKey of N-[4-(aminomethyl)cyclohexyl]-4-[6-(benzylamino)-2-pyridinyl]-5-chloropyridin-2-amine?
The InChIKey is JDSQHSZBUZZGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5/c25-21-16-28-24(29-19-11-9-17(14-26)10-12-19)13-20(21)22-7-4-8-23(30-22)27-15-18-5-2-1-3-6-18/h1-8,13,16-17,19H,9-12,14-15,26H2,(H,27,30)(H,28,29).
What are the key properties of N-[4-(aminomethyl)cyclohexyl]-4-[6-(benzylamino)-2-pyridinyl]-5-chloropyridin-2-amine?
N-[4-(aminomethyl)cyclohexyl]-4-[6-(benzylamino)-2-pyridinyl]-5-chloropyridin-2-amine has a molecular weight of 421.98 g/mol, XLogP of 5.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)cyclohexyl]-4-[6-(benzylamino)-2-pyridinyl]-5-chloropyridin-2-amine is sourced from PubChem (CID 70793944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).