N-cyclopropyl-4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide

C19H26N4O — CID 95288528

IUPACN-cyclopropyl-4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide
SMILESCc1cnn([C@H](C)[C@H](C)NCc2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C19H26N4O/c1-13-10-21-23(12-13)15(3)14(2)20-11-16-4-6-17(7-5-16)19(24)22-18-8-9-18/h4-7,10,12,14-15,18,20H,8-9,11H2,1-3H3,(H,22,24)/t14-,15+/m0/s1
InChIKeyPFKVLWPDANADCR-LSDHHAIUSA-N
MW326.44 g/mol
LogP2.82
Rot. Bonds7

About N-cyclopropyl-4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide

N-cyclopropyl-4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide (PubChem CID 95288528) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-cyclopropyl-4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide
PubChem CID95288528
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-cyclopropyl-4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide
SMILESCc1cnn([C@H](C)[C@H](C)NCc2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C19H26N4O/c1-13-10-21-23(12-13)15(3)14(2)20-11-16-4-6-17(7-5-16)19(24)22-18-8-9-18/h4-7,10,12,14-15,18,20H,8-9,11H2,1-3H3,(H,22,24)/t14-,15+/m0/s1
InChIKeyPFKVLWPDANADCR-LSDHHAIUSA-N
XLogP2.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide
CID 95287606
(2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine
CID 95613951
(2S,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine
CID 95613953
(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide
CID 100844392
(2S,3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95302392
N-cyclopropyl-4-methyl-3-[[4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]methoxy]benzoyl]amino]benzamide
CID 11167366
methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate
CID 110465113
N-cyclopentyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43083735
N-[(2-chlorophenyl)methyl]-3-[[(2R,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]propanamide
CID 95340689
(2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95291817
N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide
CID 60966595
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide (CID 95288528) is N-cyclopropyl-4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide is Cc1cnn([C@H](C)[C@H](C)NCc2ccc(C(=O)NC3CC3)cc2)c1.
What is the InChIKey of N-cyclopropyl-4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide?
The InChIKey is PFKVLWPDANADCR-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13-10-21-23(12-13)15(3)14(2)20-11-16-4-6-17(7-5-16)19(24)22-18-8-9-18/h4-7,10,12,14-15,18,20H,8-9,11H2,1-3H3,(H,22,24)/t14-,15+/m0/s1.
What are the key properties of N-cyclopropyl-4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide?
N-cyclopropyl-4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide has a molecular weight of 326.44 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 95288528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).