3-fluoro-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide

C18H18FN7O — CID 122315229

IUPAC3-fluoro-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide
SMILESCc1nc(NCCNC(=O)c2ccncc2F)cc(Nc2ccccn2)n1
InChIInChI=1S/C18H18FN7O/c1-12-24-16(10-17(25-12)26-15-4-2-3-6-21-15)22-8-9-23-18(27)13-5-7-20-11-14(13)19/h2-7,10-11H,8-9H2,1H3,(H,23,27)(H2,21,22,24,25,26)
InChIKeyNFSJSUBZKRRKBA-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.30
Rot. Bonds7

About 3-fluoro-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide

3-fluoro-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide (PubChem CID 122315229) has the molecular formula C18H18FN7O and a molecular weight of 367.39 g/mol. Its IUPAC name is 3-fluoro-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide
PubChem CID122315229
Molecular FormulaC18H18FN7O
Molecular Weight367.39 g/mol
Exact Mass367.16
IUPAC Name3-fluoro-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide
SMILESCc1nc(NCCNC(=O)c2ccncc2F)cc(Nc2ccccn2)n1
InChIInChI=1S/C18H18FN7O/c1-12-24-16(10-17(25-12)26-15-4-2-3-6-21-15)22-8-9-23-18(27)13-5-7-20-11-14(13)19/h2-7,10-11H,8-9H2,1H3,(H,23,27)(H2,21,22,24,25,26)
InChIKeyNFSJSUBZKRRKBA-UHFFFAOYSA-N
XLogP2.30
TPSA104.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-fluoro-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide
CID 122314928
2-methoxy-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 122314926
1-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-3-phenylpyrazole-5-carboxamide
CID 122315086
3-fluoro-N-[2-(quinolin-2-ylamino)ethyl]pyridine-4-carboxamide
CID 71991073
N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-4-thiophen-2-ylbenzamide
CID 122315171
2,4-dichloro-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122315358
2-chloro-4-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide
CID 71800122
1-(4-ethylphenyl)-3-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]urea
CID 122314995
2-(difluoromethylsulfanyl)-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122315569
2-(4-methoxy-3-methylphenyl)-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 122315168
N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122315126
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]urea
CID 122315010

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide (CID 122315229) is 3-fluoro-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide is Cc1nc(NCCNC(=O)c2ccncc2F)cc(Nc2ccccn2)n1.
What is the InChIKey of 3-fluoro-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide?
The InChIKey is NFSJSUBZKRRKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN7O/c1-12-24-16(10-17(25-12)26-15-4-2-3-6-21-15)22-8-9-23-18(27)13-5-7-20-11-14(13)19/h2-7,10-11H,8-9H2,1H3,(H,23,27)(H2,21,22,24,25,26).
What are the key properties of 3-fluoro-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide?
3-fluoro-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide has a molecular weight of 367.39 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 122315229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).