N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

C17H27N5O — CID 40900290

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H27N5O/c1-2-21-10-3-5-15(21)13-20-16(23)14-6-11-22(12-7-14)17-18-8-4-9-19-17/h4,8-9,14-15H,2-3,5-7,10-13H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyRZVOVPZGFGPIRL-OAHLLOKOSA-N
MW317.44 g/mol
LogP1.29
Rot. Bonds5

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 40900290) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID40900290
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H27N5O/c1-2-21-10-3-5-15(21)13-20-16(23)14-6-11-22(12-7-14)17-18-8-4-9-19-17/h4,8-9,14-15H,2-3,5-7,10-13H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyRZVOVPZGFGPIRL-OAHLLOKOSA-N
XLogP1.29
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206
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CID 95114393
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 46340074
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide
CID 92691632
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
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N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
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CID 111428735
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 107358520
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111095916
N'-butanoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
CID 23544069
N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 40900290) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is CCN1CCC[C@@H]1CNC(=O)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is RZVOVPZGFGPIRL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N5O/c1-2-21-10-3-5-15(21)13-20-16(23)14-6-11-22(12-7-14)17-18-8-4-9-19-17/h4,8-9,14-15H,2-3,5-7,10-13H2,1H3,(H,20,23)/t15-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 40900290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).