N-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide

C19H24N4O2 — CID 95107314

IUPACN-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCCCOc1ccc(CN2CC[C@H](NC(=O)c3ccccn3)C2)cn1
InChIInChI=1S/C19H24N4O2/c1-2-11-25-18-7-6-15(12-21-18)13-23-10-8-16(14-23)22-19(24)17-5-3-4-9-20-17/h3-7,9,12,16H,2,8,10-11,13-14H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyBMTVOKIHPXWXKS-INIZCTEOSA-N
MW340.43 g/mol
LogP2.27
Rot. Bonds7

About N-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide

N-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 95107314) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide
PubChem CID95107314
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCCCOc1ccc(CN2CC[C@H](NC(=O)c3ccccn3)C2)cn1
InChIInChI=1S/C19H24N4O2/c1-2-11-25-18-7-6-15(12-21-18)13-23-10-8-16(14-23)22-19(24)17-5-3-4-9-20-17/h3-7,9,12,16H,2,8,10-11,13-14H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyBMTVOKIHPXWXKS-INIZCTEOSA-N
XLogP2.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[(3R)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 95107321
N-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide
CID 95107251
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
N-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]pyridine-2-carboxamide
CID 134803744
4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 53185237
2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide
CID 53185239
1-cyclopentyl-3-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 95107233
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide
CID 9488581
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
N-[(3S)-1-benzylpyrrolidin-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 25474035
N-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide
CID 95107295
1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
CID 95107286

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide (CID 95107314) is N-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide is CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccccn3)C2)cn1.
What is the InChIKey of N-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide?
The InChIKey is BMTVOKIHPXWXKS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-11-25-18-7-6-15(12-21-18)13-23-10-8-16(14-23)22-19(24)17-5-3-4-9-20-17/h3-7,9,12,16H,2,8,10-11,13-14H2,1H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide?
N-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 95107314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).