5-chloro-N-cyclopropyl-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]pyridin-2-amine

C20H18ClFN4 — CID 67641420

IUPAC5-chloro-N-cyclopropyl-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]pyridin-2-amine
SMILESFc1cccc(CNc2cncc(-c3cc(NC4CC4)ncc3Cl)c2)c1
InChIInChI=1S/C20H18ClFN4/c21-19-12-25-20(26-16-4-5-16)8-18(19)14-7-17(11-23-10-14)24-9-13-2-1-3-15(22)6-13/h1-3,6-8,10-12,16,24H,4-5,9H2,(H,25,26)
InChIKeyUJQNAUNIAJXYMV-UHFFFAOYSA-N
MW368.84 g/mol
LogP5.12
Rot. Bonds6

About 5-chloro-N-cyclopropyl-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]pyridin-2-amine

5-chloro-N-cyclopropyl-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]pyridin-2-amine (PubChem CID 67641420) has the molecular formula C20H18ClFN4 and a molecular weight of 368.84 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]pyridin-2-amine
PubChem CID67641420
Molecular FormulaC20H18ClFN4
Molecular Weight368.84 g/mol
Exact Mass368.12
IUPAC Name5-chloro-N-cyclopropyl-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]pyridin-2-amine
SMILESFc1cccc(CNc2cncc(-c3cc(NC4CC4)ncc3Cl)c2)c1
InChIInChI=1S/C20H18ClFN4/c21-19-12-25-20(26-16-4-5-16)8-18(19)14-7-17(11-23-10-14)24-9-13-2-1-3-15(22)6-13/h1-3,6-8,10-12,16,24H,4-5,9H2,(H,25,26)
InChIKeyUJQNAUNIAJXYMV-UHFFFAOYSA-N
XLogP5.12
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.84
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-cyclopropyl-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]pyridin-2-amine (CID 67641420) is 5-chloro-N-cyclopropyl-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-cyclopropyl-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-cyclopropyl-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]pyridin-2-amine is Fc1cccc(CNc2cncc(-c3cc(NC4CC4)ncc3Cl)c2)c1.
What is the InChIKey of 5-chloro-N-cyclopropyl-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]pyridin-2-amine?
The InChIKey is UJQNAUNIAJXYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4/c21-19-12-25-20(26-16-4-5-16)8-18(19)14-7-17(11-23-10-14)24-9-13-2-1-3-15(22)6-13/h1-3,6-8,10-12,16,24H,4-5,9H2,(H,25,26).
What are the key properties of 5-chloro-N-cyclopropyl-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]pyridin-2-amine?
5-chloro-N-cyclopropyl-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]pyridin-2-amine has a molecular weight of 368.84 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 67641420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).