N-[4-methyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoylamino]phenyl]propanamide

C19H21N7O2 — CID 55743521

IUPACN-[4-methyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)NCc2cccnc2-n2cncn2)c1
InChIInChI=1S/C19H21N7O2/c1-3-17(27)24-15-7-6-13(2)16(9-15)25-19(28)22-10-14-5-4-8-21-18(14)26-12-20-11-23-26/h4-9,11-12H,3,10H2,1-2H3,(H,24,27)(H2,22,25,28)
InChIKeyZXWLISJAJBOESN-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.64
Rot. Bonds6

About N-[4-methyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoylamino]phenyl]propanamide

N-[4-methyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoylamino]phenyl]propanamide (PubChem CID 55743521) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[4-methyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-methyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoylamino]phenyl]propanamide
PubChem CID55743521
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC NameN-[4-methyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)NCc2cccnc2-n2cncn2)c1
InChIInChI=1S/C19H21N7O2/c1-3-17(27)24-15-7-6-13(2)16(9-15)25-19(28)22-10-14-5-4-8-21-18(14)26-12-20-11-23-26/h4-9,11-12H,3,10H2,1-2H3,(H,24,27)(H2,22,25,28)
InChIKeyZXWLISJAJBOESN-UHFFFAOYSA-N
XLogP2.64
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methyl-5-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide
CID 55745163
1-(1,3-benzodioxol-5-yl)-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 47034646
methyl 3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoylamino]benzoate
CID 47040063
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 51115568
1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 47050389
1-[(2S)-3-methylbutan-2-yl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 94027698
N-[3-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoylamino]-4-methylphenyl]propanamide
CID 86994529
2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 55721134
1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55744071
1-[(2,5-dimethoxyphenyl)methyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55747504
1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55793387
1-(2-cyclopentylsulfanylphenyl)-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55701789

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoylamino]phenyl]propanamide?
The IUPAC name of N-[4-methyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoylamino]phenyl]propanamide (CID 55743521) is N-[4-methyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoylamino]phenyl]propanamide.
What is the SMILES notation for N-[4-methyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoylamino]phenyl]propanamide?
The canonical SMILES for N-[4-methyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoylamino]phenyl]propanamide is CCC(=O)Nc1ccc(C)c(NC(=O)NCc2cccnc2-n2cncn2)c1.
What is the InChIKey of N-[4-methyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoylamino]phenyl]propanamide?
The InChIKey is ZXWLISJAJBOESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-3-17(27)24-15-7-6-13(2)16(9-15)25-19(28)22-10-14-5-4-8-21-18(14)26-12-20-11-23-26/h4-9,11-12H,3,10H2,1-2H3,(H,24,27)(H2,22,25,28).
What are the key properties of N-[4-methyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoylamino]phenyl]propanamide?
N-[4-methyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoylamino]phenyl]propanamide has a molecular weight of 379.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoylamino]phenyl]propanamide is sourced from PubChem (CID 55743521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).