6-chloro-N-(cyclopropylmethyl)-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]pyridin-2-amine

C17H22ClN5 — CID 167404409

IUPAC6-chloro-N-(cyclopropylmethyl)-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]pyridin-2-amine
SMILESCn1cnnc1CC1(c2cc(Cl)nc(NCC3CC3)c2)CCC1
InChIInChI=1S/C17H22ClN5/c1-23-11-20-22-16(23)9-17(5-2-6-17)13-7-14(18)21-15(8-13)19-10-12-3-4-12/h7-8,11-12H,2-6,9-10H2,1H3,(H,19,21)
InChIKeyBSSAPKGGEJOJML-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.35
Rot. Bonds6

About 6-chloro-N-(cyclopropylmethyl)-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]pyridin-2-amine

6-chloro-N-(cyclopropylmethyl)-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]pyridin-2-amine (PubChem CID 167404409) has the molecular formula C17H22ClN5 and a molecular weight of 331.85 g/mol. Its IUPAC name is 6-chloro-N-(cyclopropylmethyl)-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclopropylmethyl)-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]pyridin-2-amine
PubChem CID167404409
Molecular FormulaC17H22ClN5
Molecular Weight331.85 g/mol
Exact Mass331.16
IUPAC Name6-chloro-N-(cyclopropylmethyl)-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]pyridin-2-amine
SMILESCn1cnnc1CC1(c2cc(Cl)nc(NCC3CC3)c2)CCC1
InChIInChI=1S/C17H22ClN5/c1-23-11-20-22-16(23)9-17(5-2-6-17)13-7-14(18)21-15(8-13)19-10-12-3-4-12/h7-8,11-12H,2-6,9-10H2,1H3,(H,19,21)
InChIKeyBSSAPKGGEJOJML-UHFFFAOYSA-N
XLogP3.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-(cyclopropylmethyl)-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]pyridin-2-amine with MolForge

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine
CID 75435608
4-chloro-3-(2-chloro-6-fluorophenyl)-N-propyl-6-(1,2,4-triazol-1-yl)pyridin-2-amine
CID 68578333
2,6-dichloro-4-[(2R)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyridine
CID 139350585
2,6-Dichloro-4-[1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyridine
CID 139350587
2,6-dichloro-4-[(2S)-1,1,2-trifluoro-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyridine
CID 139350791
2,6-Dichloro-4-[3,3-difluoro-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]pyridine
CID 164869074
2-[[6-Chloro-4-[1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-2-pyridinyl]amino]ethanol
CID 164869153
2,6-Dichloro-4-[1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]pyridine
CID 167404244
6-chloro-4-[3,3-difluoro-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]-N-ethylpyridin-2-amine
CID 167404405
6-chloro-N-ethyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridin-2-amine
CID 167421090
2,6-Dichloro-4-[3,3-difluoro-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]pyridine
CID 168262880
N-(2-azidoethyl)-4-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-6-[4-[(3S)-3-methylpiperidin-1-yl]-3-[(E)-1,1,1-trifluoropent-2-en-2-yl]-2H-azet-1-yl]pyridin-2-amine
CID 169179454

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclopropylmethyl)-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-(cyclopropylmethyl)-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]pyridin-2-amine (CID 167404409) is 6-chloro-N-(cyclopropylmethyl)-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(cyclopropylmethyl)-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(cyclopropylmethyl)-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]pyridin-2-amine is Cn1cnnc1CC1(c2cc(Cl)nc(NCC3CC3)c2)CCC1.
What is the InChIKey of 6-chloro-N-(cyclopropylmethyl)-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]pyridin-2-amine?
The InChIKey is BSSAPKGGEJOJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5/c1-23-11-20-22-16(23)9-17(5-2-6-17)13-7-14(18)21-15(8-13)19-10-12-3-4-12/h7-8,11-12H,2-6,9-10H2,1H3,(H,19,21).
What are the key properties of 6-chloro-N-(cyclopropylmethyl)-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]pyridin-2-amine?
6-chloro-N-(cyclopropylmethyl)-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]pyridin-2-amine has a molecular weight of 331.85 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclopropylmethyl)-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]pyridin-2-amine is sourced from PubChem (CID 167404409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).