4-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]cyclohexane-1-carboxamide

C20H32N4O — CID 58537410

IUPAC4-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]cyclohexane-1-carboxamide
SMILESCN1CCC[C@H]1c1cncc(CCCNC(=O)C2CCC(N)CC2)c1
InChIInChI=1S/C20H32N4O/c1-24-11-3-5-19(24)17-12-15(13-22-14-17)4-2-10-23-20(25)16-6-8-18(21)9-7-16/h12-14,16,18-19H,2-11,21H2,1H3,(H,23,25)/t16?,18?,19-/m0/s1
InChIKeyYTYPCQGMFFYBRC-KVZIAJEVSA-N
MW344.50 g/mol
LogP2.41
Rot. Bonds6

About 4-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]cyclohexane-1-carboxamide

4-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]cyclohexane-1-carboxamide (PubChem CID 58537410) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]cyclohexane-1-carboxamide
PubChem CID58537410
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name4-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]cyclohexane-1-carboxamide
SMILESCN1CCC[C@H]1c1cncc(CCCNC(=O)C2CCC(N)CC2)c1
InChIInChI=1S/C20H32N4O/c1-24-11-3-5-19(24)17-12-15(13-22-14-17)4-2-10-23-20(25)16-6-8-18(21)9-7-16/h12-14,16,18-19H,2-11,21H2,1H3,(H,23,25)/t16?,18?,19-/m0/s1
InChIKeyYTYPCQGMFFYBRC-KVZIAJEVSA-N
XLogP2.41
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]cyclohexane-1-carboxamide (CID 58537410) is 4-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]cyclohexane-1-carboxamide is CN1CCC[C@H]1c1cncc(CCCNC(=O)C2CCC(N)CC2)c1.
What is the InChIKey of 4-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]cyclohexane-1-carboxamide?
The InChIKey is YTYPCQGMFFYBRC-KVZIAJEVSA-N. The full InChI is InChI=1S/C20H32N4O/c1-24-11-3-5-19(24)17-12-15(13-22-14-17)4-2-10-23-20(25)16-6-8-18(21)9-7-16/h12-14,16,18-19H,2-11,21H2,1H3,(H,23,25)/t16?,18?,19-/m0/s1.
What are the key properties of 4-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]cyclohexane-1-carboxamide?
4-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]cyclohexane-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 58537410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).