4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide

C20H27N5O2 — CID 162682747

IUPAC4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide
SMILESCOC[C@H]1CCN(c2ccnc(C(=O)NC3(Cc4ccn(C)n4)CC3)c2)C1
InChIInChI=1S/C20H27N5O2/c1-24-9-5-16(23-24)12-20(6-7-20)22-19(26)18-11-17(3-8-21-18)25-10-4-15(13-25)14-27-2/h3,5,8-9,11,15H,4,6-7,10,12-14H2,1-2H3,(H,22,26)/t15-/m0/s1
InChIKeyKTKCSYVBYBFSFT-HNNXBMFYSA-N
MW369.47 g/mol
LogP1.79
Rot. Bonds7

About 4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide

4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide (PubChem CID 162682747) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide
PubChem CID162682747
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide
SMILESCOC[C@H]1CCN(c2ccnc(C(=O)NC3(Cc4ccn(C)n4)CC3)c2)C1
InChIInChI=1S/C20H27N5O2/c1-24-9-5-16(23-24)12-20(6-7-20)22-19(26)18-11-17(3-8-21-18)25-10-4-15(13-25)14-27-2/h3,5,8-9,11,15H,4,6-7,10,12-14H2,1-2H3,(H,22,26)/t15-/m0/s1
InChIKeyKTKCSYVBYBFSFT-HNNXBMFYSA-N
XLogP1.79
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3R,5S)-3-hydroxy-5-methylpiperidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682713
4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682920
N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide
CID 162682810
N-[1-[(2-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide
CID 162682814
2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine
CID 103757063
N-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide
CID 162682804
4-(3,3-dimethylpiperidin-1-yl)-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682808
N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide
CID 162682695
N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]pyridine-2-carboxamide
CID 162682831
N-(1-benzylcyclopropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 99831743
4-(3-aminopyrrolidin-1-yl)-N-methylpyridine-2-carboxamide
CID 62067734
N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide
CID 103881085

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide?
The IUPAC name of 4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide (CID 162682747) is 4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide is COC[C@H]1CCN(c2ccnc(C(=O)NC3(Cc4ccn(C)n4)CC3)c2)C1.
What is the InChIKey of 4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide?
The InChIKey is KTKCSYVBYBFSFT-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-24-9-5-16(23-24)12-20(6-7-20)22-19(26)18-11-17(3-8-21-18)25-10-4-15(13-25)14-27-2/h3,5,8-9,11,15H,4,6-7,10,12-14H2,1-2H3,(H,22,26)/t15-/m0/s1.
What are the key properties of 4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide?
4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 162682747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).