(3S)-N-(6-ethoxy-2-pyridinyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

C17H26N4O2 — CID 97308613

IUPAC(3S)-N-(6-ethoxy-2-pyridinyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCCOc1cccc(NC(=O)N2CC[C@@H](CN3CCCC3)C2)n1
InChIInChI=1S/C17H26N4O2/c1-2-23-16-7-5-6-15(18-16)19-17(22)21-11-8-14(13-21)12-20-9-3-4-10-20/h5-7,14H,2-4,8-13H2,1H3,(H,18,19,22)/t14-/m0/s1
InChIKeyQHUTTWZWQNOXBO-AWEZNQCLSA-N
MW318.42 g/mol
LogP2.43
Rot. Bonds5

About (3S)-N-(6-ethoxy-2-pyridinyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

(3S)-N-(6-ethoxy-2-pyridinyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 97308613) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3S)-N-(6-ethoxy-2-pyridinyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(6-ethoxy-2-pyridinyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID97308613
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(3S)-N-(6-ethoxy-2-pyridinyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCCOc1cccc(NC(=O)N2CC[C@@H](CN3CCCC3)C2)n1
InChIInChI=1S/C17H26N4O2/c1-2-23-16-7-5-6-15(18-16)19-17(22)21-11-8-14(13-21)12-20-9-3-4-10-20/h5-7,14H,2-4,8-13H2,1H3,(H,18,19,22)/t14-/m0/s1
InChIKeyQHUTTWZWQNOXBO-AWEZNQCLSA-N
XLogP2.43
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-ethoxy-2-pyridinyl)-1-methylpiperidine-2-carboxamide
CID 167884113
N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 86800649
(3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99826576
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
(3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 97333918
N-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 136534290
N-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146129975
ethyl 3-[[4-(piperidin-1-ylmethyl)piperidine-1-carbonyl]amino]benzoate
CID 6625829
(3S)-3-(piperidin-1-ylmethyl)-N-(2-prop-2-ynoxyphenyl)pyrrolidine-1-carboxamide
CID 99826625
6-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 63591478
4-(azepan-1-ylmethyl)-N-(3-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 20907587
N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide
CID 126459311

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6-ethoxy-2-pyridinyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(6-ethoxy-2-pyridinyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide (CID 97308613) is (3S)-N-(6-ethoxy-2-pyridinyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(6-ethoxy-2-pyridinyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(6-ethoxy-2-pyridinyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide is CCOc1cccc(NC(=O)N2CC[C@@H](CN3CCCC3)C2)n1.
What is the InChIKey of (3S)-N-(6-ethoxy-2-pyridinyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is QHUTTWZWQNOXBO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-23-16-7-5-6-15(18-16)19-17(22)21-11-8-14(13-21)12-20-9-3-4-10-20/h5-7,14H,2-4,8-13H2,1H3,(H,18,19,22)/t14-/m0/s1.
What are the key properties of (3S)-N-(6-ethoxy-2-pyridinyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
(3S)-N-(6-ethoxy-2-pyridinyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(6-ethoxy-2-pyridinyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97308613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).