N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide

C20H26N4O2 — CID 51123762

IUPACN-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)N(Cc2cccnc2)C(C)C)c1
InChIInChI=1S/C20H26N4O2/c1-14(2)22-20(26)23-18-9-5-8-17(11-18)19(25)24(15(3)4)13-16-7-6-10-21-12-16/h5-12,14-15H,13H2,1-4H3,(H2,22,23,26)
InChIKeyPAGCCSZTIGKNSO-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.66
Rot. Bonds6

About N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide

N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 51123762) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID51123762
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)N(Cc2cccnc2)C(C)C)c1
InChIInChI=1S/C20H26N4O2/c1-14(2)22-20(26)23-18-9-5-8-17(11-18)19(25)24(15(3)4)13-16-7-6-10-21-12-16/h5-12,14-15H,13H2,1-4H3,(H2,22,23,26)
InChIKeyPAGCCSZTIGKNSO-UHFFFAOYSA-N
XLogP3.66
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60948704
3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55820021
N-benzyl-N-butan-2-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 56536452
3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60557001
3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55818997
3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea
CID 47065731
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
N,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide
CID 86987634
N-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 55648297
1-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-3-propan-2-ylurea
CID 113067380
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
3-(benzenesulfonamido)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86976169

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide (CID 51123762) is N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide is CC(C)NC(=O)Nc1cccc(C(=O)N(Cc2cccnc2)C(C)C)c1.
What is the InChIKey of N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is PAGCCSZTIGKNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14(2)22-20(26)23-18-9-5-8-17(11-18)19(25)24(15(3)4)13-16-7-6-10-21-12-16/h5-12,14-15H,13H2,1-4H3,(H2,22,23,26).
What are the key properties of N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide?
N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 51123762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).