acetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide

C14H21N3O5 — CID 154910821

IUPACacetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCC(=O)O.COc1cc(C(=O)N[C@H]2CNC[C@@H]2OC)ccn1
InChIInChI=1S/C12H17N3O3.C2H4O2/c1-17-10-7-13-6-9(10)15-12(16)8-3-4-14-11(5-8)18-2;1-2(3)4/h3-5,9-10,13H,6-7H2,1-2H3,(H,15,16);1H3,(H,3,4)/t9-,10-;/m0./s1
InChIKeyMYDASUTYLKUDHV-IYPAPVHQSA-N
MW311.34 g/mol
LogP-0.10
Rot. Bonds4

About acetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide

acetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide (PubChem CID 154910821) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is acetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Nameacetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide
PubChem CID154910821
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Nameacetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCC(=O)O.COc1cc(C(=O)N[C@H]2CNC[C@@H]2OC)ccn1
InChIInChI=1S/C12H17N3O3.C2H4O2/c1-17-10-7-13-6-9(10)15-12(16)8-3-4-14-11(5-8)18-2;1-2(3)4/h3-5,9-10,13H,6-7H2,1-2H3,(H,15,16);1H3,(H,3,4)/t9-,10-;/m0./s1
InChIKeyMYDASUTYLKUDHV-IYPAPVHQSA-N
XLogP-0.10
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide
CID 76975241
2-methoxy-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 59355726
N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide
CID 43594014
N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
N-[(3aR,4R,8bR)-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrol-4-yl]-2-methoxypyridine-4-carboxamide
CID 97407824
4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbenzamide
CID 113304909
6-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide
CID 115354184
N-(4-methoxypyrrolidin-3-yl)-1H-pyrazole-4-carboxamide
CID 74883497
2-[(2-methoxypyridine-4-carbonyl)amino]acetic acid
CID 170946630
4-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-nitrobenzamide
CID 43594209
N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 43594183
N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-methoxypyridine-4-carboxamide
CID 155996222

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of acetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide (CID 154910821) is acetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for acetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for acetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide is CC(=O)O.COc1cc(C(=O)N[C@H]2CNC[C@@H]2OC)ccn1.
What is the InChIKey of acetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide?
The InChIKey is MYDASUTYLKUDHV-IYPAPVHQSA-N. The full InChI is InChI=1S/C12H17N3O3.C2H4O2/c1-17-10-7-13-6-9(10)15-12(16)8-3-4-14-11(5-8)18-2;1-2(3)4/h3-5,9-10,13H,6-7H2,1-2H3,(H,15,16);1H3,(H,3,4)/t9-,10-;/m0./s1.
What are the key properties of acetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide?
acetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide has a molecular weight of 311.34 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 154910821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).