4-[[2-(propylamino)pyrimidin-5-yl]methyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide

C19H27N7O — CID 56910103

IUPAC4-[[2-(propylamino)pyrimidin-5-yl]methyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
SMILESCCCNc1ncc(CN2CCNC(C(=O)NCc3ccncc3)C2)cn1
InChIInChI=1S/C19H27N7O/c1-2-5-22-19-24-11-16(12-25-19)13-26-9-8-21-17(14-26)18(27)23-10-15-3-6-20-7-4-15/h3-4,6-7,11-12,17,21H,2,5,8-10,13-14H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyRROCQLPFNREKQA-UHFFFAOYSA-N
MW369.47 g/mol
LogP0.78
Rot. Bonds8

About 4-[[2-(propylamino)pyrimidin-5-yl]methyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide

4-[[2-(propylamino)pyrimidin-5-yl]methyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide (PubChem CID 56910103) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[[2-(propylamino)pyrimidin-5-yl]methyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(propylamino)pyrimidin-5-yl]methyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
PubChem CID56910103
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name4-[[2-(propylamino)pyrimidin-5-yl]methyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
SMILESCCCNc1ncc(CN2CCNC(C(=O)NCc3ccncc3)C2)cn1
InChIInChI=1S/C19H27N7O/c1-2-5-22-19-24-11-16(12-25-19)13-26-9-8-21-17(14-26)18(27)23-10-15-3-6-20-7-4-15/h3-4,6-7,11-12,17,21H,2,5,8-10,13-14H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyRROCQLPFNREKQA-UHFFFAOYSA-N
XLogP0.78
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683
(3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol
CID 72866844
4-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 56883812
5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 99926346
(2S)-4-(7H-purin-6-yl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 95727533
(2S)-4-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 95724182
4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid
CID 71649668
(2R)-N,4-diethylpiperazine-2-carboxamide
CID 129406031
N,4-diethylpiperazine-2-carboxamide
CID 53431411
4-[(6-chloro-3-pyridinyl)methyl]piperazine-2-carboxylic acid
CID 71649664
4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 56916212
4-benzyl-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperazine-2-carboxamide
CID 22958700

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(propylamino)pyrimidin-5-yl]methyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The IUPAC name of 4-[[2-(propylamino)pyrimidin-5-yl]methyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide (CID 56910103) is 4-[[2-(propylamino)pyrimidin-5-yl]methyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-[[2-(propylamino)pyrimidin-5-yl]methyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The canonical SMILES for 4-[[2-(propylamino)pyrimidin-5-yl]methyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide is CCCNc1ncc(CN2CCNC(C(=O)NCc3ccncc3)C2)cn1.
What is the InChIKey of 4-[[2-(propylamino)pyrimidin-5-yl]methyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The InChIKey is RROCQLPFNREKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-2-5-22-19-24-11-16(12-25-19)13-26-9-8-21-17(14-26)18(27)23-10-15-3-6-20-7-4-15/h3-4,6-7,11-12,17,21H,2,5,8-10,13-14H2,1H3,(H,23,27)(H,22,24,25).
What are the key properties of 4-[[2-(propylamino)pyrimidin-5-yl]methyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
4-[[2-(propylamino)pyrimidin-5-yl]methyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 0.78, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(propylamino)pyrimidin-5-yl]methyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 56910103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).