3-amino-N-[4-(3-aminocyclohexen-1-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide

C23H21F2N5O — CID 59226438

IUPAC3-amino-N-[4-(3-aminocyclohexen-1-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
SMILESNc1ccc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1C1=CC(N)CCC1
InChIInChI=1S/C23H21F2N5O/c24-16-5-2-6-17(25)21(16)19-8-7-18(27)22(29-19)23(31)30-20-12-28-10-9-15(20)13-3-1-4-14(26)11-13/h2,5-12,14H,1,3-4,26-27H2,(H,30,31)
InChIKeyMLNODNXTIGLDGC-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.15
Rot. Bonds4

About 3-amino-N-[4-(3-aminocyclohexen-1-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide

3-amino-N-[4-(3-aminocyclohexen-1-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide (PubChem CID 59226438) has the molecular formula C23H21F2N5O and a molecular weight of 421.45 g/mol. Its IUPAC name is 3-amino-N-[4-(3-aminocyclohexen-1-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(3-aminocyclohexen-1-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
PubChem CID59226438
Molecular FormulaC23H21F2N5O
Molecular Weight421.45 g/mol
Exact Mass421.17
IUPAC Name3-amino-N-[4-(3-aminocyclohexen-1-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
SMILESNc1ccc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1C1=CC(N)CCC1
InChIInChI=1S/C23H21F2N5O/c24-16-5-2-6-17(25)21(16)19-8-7-18(27)22(29-19)23(31)30-20-12-28-10-9-15(20)13-3-1-4-14(26)11-13/h2,5-12,14H,1,3-4,26-27H2,(H,30,31)
InChIKeyMLNODNXTIGLDGC-UHFFFAOYSA-N
XLogP4.15
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(3-aminocyclohexen-1-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(3-aminocyclohexen-1-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide (CID 59226438) is 3-amino-N-[4-(3-aminocyclohexen-1-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(3-aminocyclohexen-1-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(3-aminocyclohexen-1-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide is Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1C1=CC(N)CCC1.
What is the InChIKey of 3-amino-N-[4-(3-aminocyclohexen-1-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide?
The InChIKey is MLNODNXTIGLDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O/c24-16-5-2-6-17(25)21(16)19-8-7-18(27)22(29-19)23(31)30-20-12-28-10-9-15(20)13-3-1-4-14(26)11-13/h2,5-12,14H,1,3-4,26-27H2,(H,30,31).
What are the key properties of 3-amino-N-[4-(3-aminocyclohexen-1-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide?
3-amino-N-[4-(3-aminocyclohexen-1-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(3-aminocyclohexen-1-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 59226438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).