N-[3-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]-3-oxopropyl]pyrazine-2-carboxamide

C19H24N4O2 — CID 97212613

IUPACN-[3-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]-3-oxopropyl]pyrazine-2-carboxamide
SMILESCc1ccccc1[C@@H](NC(=O)CCNC(=O)c1cnccn1)C(C)C
InChIInChI=1S/C19H24N4O2/c1-13(2)18(15-7-5-4-6-14(15)3)23-17(24)8-9-22-19(25)16-12-20-10-11-21-16/h4-7,10-13,18H,8-9H2,1-3H3,(H,22,25)(H,23,24)/t18-/m0/s1
InChIKeyCSSMWOSFDPIYHQ-SFHVURJKSA-N
MW340.43 g/mol
LogP2.42
Rot. Bonds7

About N-[3-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]-3-oxopropyl]pyrazine-2-carboxamide

N-[3-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]-3-oxopropyl]pyrazine-2-carboxamide (PubChem CID 97212613) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[3-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]-3-oxopropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]-3-oxopropyl]pyrazine-2-carboxamide
PubChem CID97212613
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[3-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]-3-oxopropyl]pyrazine-2-carboxamide
SMILESCc1ccccc1[C@@H](NC(=O)CCNC(=O)c1cnccn1)C(C)C
InChIInChI=1S/C19H24N4O2/c1-13(2)18(15-7-5-4-6-14(15)3)23-17(24)8-9-22-19(25)16-12-20-10-11-21-16/h4-7,10-13,18H,8-9H2,1-3H3,(H,22,25)(H,23,24)/t18-/m0/s1
InChIKeyCSSMWOSFDPIYHQ-SFHVURJKSA-N
XLogP2.42
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyethyl)-3-[2-methyl-1-(2-methylphenyl)propyl]urea
CID 111118152
N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 16564375
5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide
CID 42783473
N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]pyrazine-2-carboxamide
CID 108541360
N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide
CID 20782723
2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide
CID 51231530
2-methyl-N-[2-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 95631821
N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]pyrazine-2-carboxamide;hydroiodide
CID 119121124
4-bromo-N-[3-[1-(2-methylphenyl)ethylamino]-3-oxopropyl]benzamide
CID 51149172
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride
CID 119782792
N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 47027647

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]-3-oxopropyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]-3-oxopropyl]pyrazine-2-carboxamide (CID 97212613) is N-[3-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]-3-oxopropyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]-3-oxopropyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]-3-oxopropyl]pyrazine-2-carboxamide is Cc1ccccc1[C@@H](NC(=O)CCNC(=O)c1cnccn1)C(C)C.
What is the InChIKey of N-[3-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]-3-oxopropyl]pyrazine-2-carboxamide?
The InChIKey is CSSMWOSFDPIYHQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)18(15-7-5-4-6-14(15)3)23-17(24)8-9-22-19(25)16-12-20-10-11-21-16/h4-7,10-13,18H,8-9H2,1-3H3,(H,22,25)(H,23,24)/t18-/m0/s1.
What are the key properties of N-[3-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]-3-oxopropyl]pyrazine-2-carboxamide?
N-[3-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]-3-oxopropyl]pyrazine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]-3-oxopropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 97212613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).