4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide

C18H22N4O2 — CID 133468780

IUPAC4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide
SMILESCC(C)CC(=O)Nc1cccc(CNc2ccncc2C(N)=O)c1
InChIInChI=1S/C18H22N4O2/c1-12(2)8-17(23)22-14-5-3-4-13(9-14)10-21-16-6-7-20-11-15(16)18(19)24/h3-7,9,11-12H,8,10H2,1-2H3,(H2,19,24)(H,20,21)(H,22,23)
InChIKeyYNOUNTDQWQOFCF-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.78
Rot. Bonds7

About 4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide

4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide (PubChem CID 133468780) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide
PubChem CID133468780
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide
SMILESCC(C)CC(=O)Nc1cccc(CNc2ccncc2C(N)=O)c1
InChIInChI=1S/C18H22N4O2/c1-12(2)8-17(23)22-14-5-3-4-13(9-14)10-21-16-6-7-20-11-15(16)18(19)24/h3-7,9,11-12H,8,10H2,1-2H3,(H2,19,24)(H,20,21)(H,22,23)
InChIKeyYNOUNTDQWQOFCF-UHFFFAOYSA-N
XLogP2.78
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133468564
4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide
CID 133442189
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133
3-methyl-N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]butanamide
CID 133468788
N-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119301478
N-[3-[(3-aminobutanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119745470
4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide
CID 133469009
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide
CID 119745433
N-[3-[[(2-amino-2-phenylpropanoyl)amino]methyl]phenyl]-3-methylbutanamide
CID 120589998
2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide
CID 171062567
2-[[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]methylamino]benzamide
CID 171062625
3-methyl-N-[3-[[(5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]methyl]phenyl]butanamide
CID 166237037

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide (CID 133468780) is 4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide is CC(C)CC(=O)Nc1cccc(CNc2ccncc2C(N)=O)c1.
What is the InChIKey of 4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide?
The InChIKey is YNOUNTDQWQOFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(2)8-17(23)22-14-5-3-4-13(9-14)10-21-16-6-7-20-11-15(16)18(19)24/h3-7,9,11-12H,8,10H2,1-2H3,(H2,19,24)(H,20,21)(H,22,23).
What are the key properties of 4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide?
4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133468780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).