2-[(cyclopropylmethylamino)methyl]-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide

C24H26N6O2 — CID 68752273

IUPAC2-[(cyclopropylmethylamino)methyl]-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(-c2ccc(NC(=O)NCc3cccnc3)cc2)nc1CNCC1CC1
InChIInChI=1S/C24H26N6O2/c25-23(31)20-9-10-21(30-22(20)15-27-12-16-3-4-16)18-5-7-19(8-6-18)29-24(32)28-14-17-2-1-11-26-13-17/h1-2,5-11,13,16,27H,3-4,12,14-15H2,(H2,25,31)(H2,28,29,32)
InChIKeyQFIYJYZGGKYCMQ-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.06
Rot. Bonds9

About 2-[(cyclopropylmethylamino)methyl]-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide

2-[(cyclopropylmethylamino)methyl]-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide (PubChem CID 68752273) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[(cyclopropylmethylamino)methyl]-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(cyclopropylmethylamino)methyl]-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide
PubChem CID68752273
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name2-[(cyclopropylmethylamino)methyl]-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(-c2ccc(NC(=O)NCc3cccnc3)cc2)nc1CNCC1CC1
InChIInChI=1S/C24H26N6O2/c25-23(31)20-9-10-21(30-22(20)15-27-12-16-3-4-16)18-5-7-19(8-6-18)29-24(32)28-14-17-2-1-11-26-13-17/h1-2,5-11,13,16,27H,3-4,12,14-15H2,(H2,25,31)(H2,28,29,32)
InChIKeyQFIYJYZGGKYCMQ-UHFFFAOYSA-N
XLogP3.06
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(pyridin-4-ylmethylamino)-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 25234959
1-(4-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125675
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
1-[4-[(4-cyclohexylcyclohexyl)methylsulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 140618929
N-[4-(pyridin-3-ylmethylcarbamoylamino)anilino]formamide
CID 91704077
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 51085606
4-(pyridin-3-ylmethylcarbamoylamino)benzenesulfonic acid
CID 127560849
1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 4565553
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
1-[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610981
1-[4-[hydroxy(oxido)amino]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 163182359

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylmethylamino)methyl]-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(cyclopropylmethylamino)methyl]-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide (CID 68752273) is 2-[(cyclopropylmethylamino)methyl]-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(cyclopropylmethylamino)methyl]-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(cyclopropylmethylamino)methyl]-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide is NC(=O)c1ccc(-c2ccc(NC(=O)NCc3cccnc3)cc2)nc1CNCC1CC1.
What is the InChIKey of 2-[(cyclopropylmethylamino)methyl]-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is QFIYJYZGGKYCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c25-23(31)20-9-10-21(30-22(20)15-27-12-16-3-4-16)18-5-7-19(8-6-18)29-24(32)28-14-17-2-1-11-26-13-17/h1-2,5-11,13,16,27H,3-4,12,14-15H2,(H2,25,31)(H2,28,29,32).
What are the key properties of 2-[(cyclopropylmethylamino)methyl]-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide?
2-[(cyclopropylmethylamino)methyl]-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.06, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylmethylamino)methyl]-6-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 68752273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).