cis-(1S,2R)-2-methyl-N-[[1-(1,8-naphthyridine-2-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide

C20H24N4O2 — CID 167876200

IUPACcis-(1S,2R)-2-methyl-N-[[1-(1,8-naphthyridine-2-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)NCC1CCCN(C(=O)c2ccc3cccnc3n2)C1
InChIInChI=1S/C20H24N4O2/c1-13-10-16(13)19(25)22-11-14-4-3-9-24(12-14)20(26)17-7-6-15-5-2-8-21-18(15)23-17/h2,5-8,13-14,16H,3-4,9-12H2,1H3,(H,22,25)/t13-,14?,16+/m1/s1
InChIKeyRHABXLRDQRZVOE-XIFZVWCKSA-N
MW352.44 g/mol
LogP2.25
Rot. Bonds4

About cis-(1S,2R)-2-methyl-N-[[1-(1,8-naphthyridine-2-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-methyl-N-[[1-(1,8-naphthyridine-2-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 167876200) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is cis-(1S,2R)-2-methyl-N-[[1-(1,8-naphthyridine-2-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-methyl-N-[[1-(1,8-naphthyridine-2-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
PubChem CID167876200
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Namecis-(1S,2R)-2-methyl-N-[[1-(1,8-naphthyridine-2-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)NCC1CCCN(C(=O)c2ccc3cccnc3n2)C1
InChIInChI=1S/C20H24N4O2/c1-13-10-16(13)19(25)22-11-14-4-3-9-24(12-14)20(26)17-7-6-15-5-2-8-21-18(15)23-17/h2,5-8,13-14,16H,3-4,9-12H2,1H3,(H,22,25)/t13-,14?,16+/m1/s1
InChIKeyRHABXLRDQRZVOE-XIFZVWCKSA-N
XLogP2.25
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2R)-2-methyl-N-[[1-(1,8-naphthyridine-2-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

6-[3-[(2,2-dimethylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119184579
[1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 81317323
[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119398124
4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 25481314
[(3aR,4R,7S,7aS)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl]-(1,8-naphthyridin-2-yl)methanone
CID 56866391
1-[(3aR,6aS)-2-(1,8-naphthyridine-2-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-cyclopropylpropan-1-one
CID 167811149
(6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 125006896
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119
[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea
CID 61053733
tert-butyl (3R)-3-[(1H-imidazo[4,5-b]pyridin-2-ylamino)methyl]piperidine-1-carboxylate
CID 97172312
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 124628255
N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821205

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methyl-N-[[1-(1,8-naphthyridine-2-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-methyl-N-[[1-(1,8-naphthyridine-2-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide (CID 167876200) is cis-(1S,2R)-2-methyl-N-[[1-(1,8-naphthyridine-2-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-methyl-N-[[1-(1,8-naphthyridine-2-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-methyl-N-[[1-(1,8-naphthyridine-2-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide is C[C@@H]1C[C@@H]1C(=O)NCC1CCCN(C(=O)c2ccc3cccnc3n2)C1.
What is the InChIKey of cis-(1S,2R)-2-methyl-N-[[1-(1,8-naphthyridine-2-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is RHABXLRDQRZVOE-XIFZVWCKSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-10-16(13)19(25)22-11-14-4-3-9-24(12-14)20(26)17-7-6-15-5-2-8-21-18(15)23-17/h2,5-8,13-14,16H,3-4,9-12H2,1H3,(H,22,25)/t13-,14?,16+/m1/s1.
What are the key properties of cis-(1S,2R)-2-methyl-N-[[1-(1,8-naphthyridine-2-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-methyl-N-[[1-(1,8-naphthyridine-2-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methyl-N-[[1-(1,8-naphthyridine-2-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 167876200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).