trans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide

C19H30N4O2 — CID 97242772

IUPACtrans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCc1cnccc1CCNC(=O)N[C@H]1CCC[C@H](C(=O)NC(C)C)C1
InChIInChI=1S/C19H30N4O2/c1-13(2)22-18(24)16-5-4-6-17(11-16)23-19(25)21-10-8-15-7-9-20-12-14(15)3/h7,9,12-13,16-17H,4-6,8,10-11H2,1-3H3,(H,22,24)(H2,21,23,25)/t16-,17-/m0/s1
InChIKeyJLVULARVSGYQRZ-IRXDYDNUSA-N
MW346.48 g/mol
LogP2.32
Rot. Bonds6

About trans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide

trans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 97242772) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is trans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID97242772
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Nametrans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCc1cnccc1CCNC(=O)N[C@H]1CCC[C@H](C(=O)NC(C)C)C1
InChIInChI=1S/C19H30N4O2/c1-13(2)22-18(24)16-5-4-6-17(11-16)23-19(25)21-10-8-15-7-9-20-12-14(15)3/h7,9,12-13,16-17H,4-6,8,10-11H2,1-3H3,(H,22,24)(H2,21,23,25)/t16-,17-/m0/s1
InChIKeyJLVULARVSGYQRZ-IRXDYDNUSA-N
XLogP2.32
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze trans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399173
1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 84599314
1-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 97242775
N-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide
CID 56791594
1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea
CID 114699395
3-[(4-methyl-3-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 114957079
1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399192
1-(1-hydroxy-4-methylpentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399207
1-(5-hydroxypentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109398845
3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 114699082
1-cyclohexyl-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109400690
3-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86962728

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide (CID 97242772) is trans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide is Cc1cnccc1CCNC(=O)N[C@H]1CCC[C@H](C(=O)NC(C)C)C1.
What is the InChIKey of trans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is JLVULARVSGYQRZ-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13(2)22-18(24)16-5-4-6-17(11-16)23-19(25)21-10-8-15-7-9-20-12-14(15)3/h7,9,12-13,16-17H,4-6,8,10-11H2,1-3H3,(H,22,24)(H2,21,23,25)/t16-,17-/m0/s1.
What are the key properties of trans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide?
trans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 97242772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).