N-[[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide

C19H26N4O — CID 95187962

IUPACN-[[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(CN2CCC[C@@H](CNC(=O)c3ccc[nH]3)C2)nc1
InChIInChI=1S/C19H26N4O/c1-2-15-7-8-17(21-11-15)14-23-10-4-5-16(13-23)12-22-19(24)18-6-3-9-20-18/h3,6-9,11,16,20H,2,4-5,10,12-14H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyMHHSQDCWHPNMGP-INIZCTEOSA-N
MW326.44 g/mol
LogP2.61
Rot. Bonds6

About N-[[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide

N-[[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 95187962) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID95187962
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(CN2CCC[C@@H](CNC(=O)c3ccc[nH]3)C2)nc1
InChIInChI=1S/C19H26N4O/c1-2-15-7-8-17(21-11-15)14-23-10-4-5-16(13-23)12-22-19(24)18-6-3-9-20-18/h3,6-9,11,16,20H,2,4-5,10,12-14H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyMHHSQDCWHPNMGP-INIZCTEOSA-N
XLogP2.61
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 95207080
N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 95388374
4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid
CID 72938414
[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99926517
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 95223631
2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide
CID 95227434
2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 56714461
[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 79739861
5-ethyl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 89095451
5-ethyl-2-(piperidin-1-ylmethyl)pyridine
CID 58495459
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 125177932
1-benzyl-3-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 95201612

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide (CID 95187962) is N-[[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide is CCc1ccc(CN2CCC[C@@H](CNC(=O)c3ccc[nH]3)C2)nc1.
What is the InChIKey of N-[[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is MHHSQDCWHPNMGP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-15-7-8-17(21-11-15)14-23-10-4-5-16(13-23)12-22-19(24)18-6-3-9-20-18/h3,6-9,11,16,20H,2,4-5,10,12-14H2,1H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
N-[[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 95187962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).