N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide

C19H22N4O2 — CID 25349133

IUPACN-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
SMILESC[C@@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccncc1
InChIInChI=1S/C19H22N4O2/c1-13(15-7-9-20-10-8-15)22-19(25)21-12-14-3-2-4-17(11-14)23-18(24)16-5-6-16/h2-4,7-11,13,16H,5-6,12H2,1H3,(H,23,24)(H2,21,22,25)/t13-/m1/s1
InChIKeyACJSXGYMDAJNBD-CYBMUJFWSA-N
MW338.41 g/mol
LogP2.99
Rot. Bonds6

About N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide

N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 25349133) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID25349133
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
SMILESC[C@@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccncc1
InChIInChI=1S/C19H22N4O2/c1-13(15-7-9-20-10-8-15)22-19(25)21-12-14-3-2-4-17(11-14)23-18(24)16-5-6-16/h2-4,7-11,13,16H,5-6,12H2,1H3,(H,23,24)(H2,21,22,25)/t13-/m1/s1
InChIKeyACJSXGYMDAJNBD-CYBMUJFWSA-N
XLogP2.99
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 55629630
N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94038983
N-[3-[[1-(2-fluorophenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 46673676
N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46584043
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
N-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 60580885
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
N-[3-[(2-methoxypropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47303341
N-[4-[1-(2-pyridin-3-ylethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 47024872
N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 30940006
N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 29303854
N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 119282339

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide (CID 25349133) is N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide is C[C@@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccncc1.
What is the InChIKey of N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is ACJSXGYMDAJNBD-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(15-7-9-20-10-8-15)22-19(25)21-12-14-3-2-4-17(11-14)23-18(24)16-5-6-16/h2-4,7-11,13,16H,5-6,12H2,1H3,(H,23,24)(H2,21,22,25)/t13-/m1/s1.
What are the key properties of N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 25349133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).