N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide

C14H19N5O2 — CID 94816424

IUPACN-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide
SMILESCC[C@@H](C)NC(=O)CCNC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C14H19N5O2/c1-3-9(2)16-13(20)6-7-15-14(21)10-4-5-11-12(8-10)18-19-17-11/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,21)(H,16,20)(H,17,18,19)/t9-/m1/s1
InChIKeyDCMCPXPXEMGANY-SECBINFHSA-N
MW289.34 g/mol
LogP0.99
Rot. Bonds6

About N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide

N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide (PubChem CID 94816424) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide
PubChem CID94816424
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide
SMILESCC[C@@H](C)NC(=O)CCNC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C14H19N5O2/c1-3-9(2)16-13(20)6-7-15-14(21)10-4-5-11-12(8-10)18-19-17-11/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,21)(H,16,20)(H,17,18,19)/t9-/m1/s1
InChIKeyDCMCPXPXEMGANY-SECBINFHSA-N
XLogP0.99
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-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

N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide
CID 94816425
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191435
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide
CID 104627763
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide
CID 61053305
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide
CID 60552825
N-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide
CID 83031665
N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(methylamino)pyridine-3-carboxamide
CID 62177053
N-(5-hydroxy-4-methylpentyl)-2H-benzotriazole-5-carboxamide
CID 103861558
5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 61150398
N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridine-3-carboxamide
CID 62177054
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62177585
3-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]benzoic acid
CID 115596261

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide (CID 94816424) is N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide is CC[C@@H](C)NC(=O)CCNC(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is DCMCPXPXEMGANY-SECBINFHSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-9(2)16-13(20)6-7-15-14(21)10-4-5-11-12(8-10)18-19-17-11/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,21)(H,16,20)(H,17,18,19)/t9-/m1/s1.
What are the key properties of N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide?
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 94816424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).