N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

C20H24N4O2 — CID 71882970

IUPACN-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)C2CC2c2cccnc2)cc1
InChIInChI=1S/C20H24N4O2/c1-13(2)23-20(26)24-16-7-5-14(6-8-16)11-22-19(25)18-10-17(18)15-4-3-9-21-12-15/h3-9,12-13,17-18H,10-11H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyOYBOQLAFQVXAQR-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.03
Rot. Bonds6

About N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 71882970) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID71882970
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)C2CC2c2cccnc2)cc1
InChIInChI=1S/C20H24N4O2/c1-13(2)23-20(26)24-16-7-5-14(6-8-16)11-22-19(25)18-10-17(18)15-4-3-9-21-12-15/h3-9,12-13,17-18H,10-11H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyOYBOQLAFQVXAQR-UHFFFAOYSA-N
XLogP3.03
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 98787032
cis-(1S,2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 98728827
(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
CID 58363515
1-[4-[(benzylcarbamothioylamino)methyl]phenyl]-3-propan-2-ylurea
CID 43077296
cis-(1S,2R)-N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 94388476
2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide
CID 106910392
N-[2-(4-chlorophenoxy)propyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 71993784
1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 86986258
(2S)-2-[(4-chlorophenyl)carbamoylamino]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110348871
3,5-dimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46456498
1,3-bis[[4-(pyridin-3-ylcarbamoylamino)phenyl]methyl]urea
CID 135869753
2-(cyclopropylmethylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 119730358

Frequently Asked Questions

What is the IUPAC name of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 71882970) is N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is CC(C)NC(=O)Nc1ccc(CNC(=O)C2CC2c2cccnc2)cc1.
What is the InChIKey of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is OYBOQLAFQVXAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13(2)23-20(26)24-16-7-5-14(6-8-16)11-22-19(25)18-10-17(18)15-4-3-9-21-12-15/h3-9,12-13,17-18H,10-11H2,1-2H3,(H,22,25)(H2,23,24,26).
What are the key properties of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 71882970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).