N-(1-aminoethyl)-2-[4-(cyclohexylamino)piperidin-1-yl]-5-cyclopropylpyridine-3-carboxamide

C22H35N5O — CID 123519804

IUPACN-(1-aminoethyl)-2-[4-(cyclohexylamino)piperidin-1-yl]-5-cyclopropylpyridine-3-carboxamide
SMILESCC(N)NC(=O)c1cc(C2CC2)cnc1N1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C22H35N5O/c1-15(23)25-22(28)20-13-17(16-7-8-16)14-24-21(20)27-11-9-19(10-12-27)26-18-5-3-2-4-6-18/h13-16,18-19,26H,2-12,23H2,1H3,(H,25,28)
InChIKeyOUJTVINHUNBILR-UHFFFAOYSA-N
MW385.56 g/mol
LogP2.88
Rot. Bonds6

About N-(1-aminoethyl)-2-[4-(cyclohexylamino)piperidin-1-yl]-5-cyclopropylpyridine-3-carboxamide

N-(1-aminoethyl)-2-[4-(cyclohexylamino)piperidin-1-yl]-5-cyclopropylpyridine-3-carboxamide (PubChem CID 123519804) has the molecular formula C22H35N5O and a molecular weight of 385.56 g/mol. Its IUPAC name is N-(1-aminoethyl)-2-[4-(cyclohexylamino)piperidin-1-yl]-5-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminoethyl)-2-[4-(cyclohexylamino)piperidin-1-yl]-5-cyclopropylpyridine-3-carboxamide
PubChem CID123519804
Molecular FormulaC22H35N5O
Molecular Weight385.56 g/mol
Exact Mass385.28
IUPAC NameN-(1-aminoethyl)-2-[4-(cyclohexylamino)piperidin-1-yl]-5-cyclopropylpyridine-3-carboxamide
SMILESCC(N)NC(=O)c1cc(C2CC2)cnc1N1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C22H35N5O/c1-15(23)25-22(28)20-13-17(16-7-8-16)14-24-21(20)27-11-9-19(10-12-27)26-18-5-3-2-4-6-18/h13-16,18-19,26H,2-12,23H2,1H3,(H,25,28)
InChIKeyOUJTVINHUNBILR-UHFFFAOYSA-N
XLogP2.88
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminoethyl)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide
CID 123966369
N-(1-aminoethyl)-2-[4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide
CID 123692323
5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 73295355
N-(1-aminoethyl)-2-[4-(oxan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide
CID 123308529
N-(1-amino-2-methylpropylidene)-5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 118263663
ethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate
CID 144575641
N-(1-aminoethyl)-6-methyl-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide
CID 123963874
propyl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 129253306
5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid
CID 83918791
N-(1-aminoethylidene)-6-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxamide
CID 123842941
methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate
CID 148579322
N-(1-aminoethyl)-3-[(3S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]quinoxaline-2-carboxamide
CID 139324613

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethyl)-2-[4-(cyclohexylamino)piperidin-1-yl]-5-cyclopropylpyridine-3-carboxamide?
The IUPAC name of N-(1-aminoethyl)-2-[4-(cyclohexylamino)piperidin-1-yl]-5-cyclopropylpyridine-3-carboxamide (CID 123519804) is N-(1-aminoethyl)-2-[4-(cyclohexylamino)piperidin-1-yl]-5-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-aminoethyl)-2-[4-(cyclohexylamino)piperidin-1-yl]-5-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for N-(1-aminoethyl)-2-[4-(cyclohexylamino)piperidin-1-yl]-5-cyclopropylpyridine-3-carboxamide is CC(N)NC(=O)c1cc(C2CC2)cnc1N1CCC(NC2CCCCC2)CC1.
What is the InChIKey of N-(1-aminoethyl)-2-[4-(cyclohexylamino)piperidin-1-yl]-5-cyclopropylpyridine-3-carboxamide?
The InChIKey is OUJTVINHUNBILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O/c1-15(23)25-22(28)20-13-17(16-7-8-16)14-24-21(20)27-11-9-19(10-12-27)26-18-5-3-2-4-6-18/h13-16,18-19,26H,2-12,23H2,1H3,(H,25,28).
What are the key properties of N-(1-aminoethyl)-2-[4-(cyclohexylamino)piperidin-1-yl]-5-cyclopropylpyridine-3-carboxamide?
N-(1-aminoethyl)-2-[4-(cyclohexylamino)piperidin-1-yl]-5-cyclopropylpyridine-3-carboxamide has a molecular weight of 385.56 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethyl)-2-[4-(cyclohexylamino)piperidin-1-yl]-5-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 123519804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).