2-[4-(aminomethyl)cyclohexyl]-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]acetamide

C19H30N4O — CID 139915368

IUPAC2-[4-(aminomethyl)cyclohexyl]-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]acetamide
SMILESCN1CCCC1c1ccc(NC(=O)CC2CCC(CN)CC2)nc1
InChIInChI=1S/C19H30N4O/c1-23-10-2-3-17(23)16-8-9-18(21-13-16)22-19(24)11-14-4-6-15(12-20)7-5-14/h8-9,13-15,17H,2-7,10-12,20H2,1H3,(H,21,22,24)
InChIKeyQUEINAZBPVHQKI-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.94
Rot. Bonds5

About 2-[4-(aminomethyl)cyclohexyl]-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]acetamide

2-[4-(aminomethyl)cyclohexyl]-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]acetamide (PubChem CID 139915368) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-[4-(aminomethyl)cyclohexyl]-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)cyclohexyl]-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]acetamide
PubChem CID139915368
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name2-[4-(aminomethyl)cyclohexyl]-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]acetamide
SMILESCN1CCCC1c1ccc(NC(=O)CC2CCC(CN)CC2)nc1
InChIInChI=1S/C19H30N4O/c1-23-10-2-3-17(23)16-8-9-18(21-13-16)22-19(24)11-14-4-6-15(12-20)7-5-14/h8-9,13-15,17H,2-7,10-12,20H2,1H3,(H,21,22,24)
InChIKeyQUEINAZBPVHQKI-UHFFFAOYSA-N
XLogP2.94
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea
CID 149435675
1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea
CID 23263071
N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide
CID 139915367
[4-[3-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]prop-2-ynyl]cyclohexyl]methanamine
CID 18762002
N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 139834352
N-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine
CID 102540283
1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone
CID 66713611
2-methyl-5-(1-methylpyrrolidin-2-yl)pyridine
CID 5020711
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
N-[6-(methylamino)-3-pyridinyl]-2-(1-methylpiperidin-3-yl)acetamide
CID 115274703
2-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)acetamide
CID 119260362
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]acetamide (CID 139915368) is 2-[4-(aminomethyl)cyclohexyl]-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)cyclohexyl]-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)cyclohexyl]-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]acetamide is CN1CCCC1c1ccc(NC(=O)CC2CCC(CN)CC2)nc1.
What is the InChIKey of 2-[4-(aminomethyl)cyclohexyl]-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]acetamide?
The InChIKey is QUEINAZBPVHQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-23-10-2-3-17(23)16-8-9-18(21-13-16)22-19(24)11-14-4-6-15(12-20)7-5-14/h8-9,13-15,17H,2-7,10-12,20H2,1H3,(H,21,22,24).
What are the key properties of 2-[4-(aminomethyl)cyclohexyl]-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]acetamide?
2-[4-(aminomethyl)cyclohexyl]-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]acetamide has a molecular weight of 330.48 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)cyclohexyl]-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 139915368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).