N-[3-(1H-indol-3-yl)propyl]pyrimidine-5-carboxamide

C16H16N4O — CID 167952935

IUPACN-[3-(1H-indol-3-yl)propyl]pyrimidine-5-carboxamide
SMILESO=C(NCCCc1c[nH]c2ccccc12)c1cncnc1
InChIInChI=1S/C16H16N4O/c21-16(13-8-17-11-18-9-13)19-7-3-4-12-10-20-15-6-2-1-5-14(12)15/h1-2,5-6,8-11,20H,3-4,7H2,(H,19,21)
InChIKeyHLIMISGTTJIOJW-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.32
Rot. Bonds5

About N-[3-(1H-indol-3-yl)propyl]pyrimidine-5-carboxamide

N-[3-(1H-indol-3-yl)propyl]pyrimidine-5-carboxamide (PubChem CID 167952935) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)propyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)propyl]pyrimidine-5-carboxamide
PubChem CID167952935
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[3-(1H-indol-3-yl)propyl]pyrimidine-5-carboxamide
SMILESO=C(NCCCc1c[nH]c2ccccc12)c1cncnc1
InChIInChI=1S/C16H16N4O/c21-16(13-8-17-11-18-9-13)19-7-3-4-12-10-20-15-6-2-1-5-14(12)15/h1-2,5-6,8-11,20H,3-4,7H2,(H,19,21)
InChIKeyHLIMISGTTJIOJW-UHFFFAOYSA-N
XLogP2.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109104994
5-[2-(1H-indol-3-yl)ethylamino]-N-pentylpyridine-3-carboxamide
CID 109237687
1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108819
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
N-[3-(1H-indol-3-yl)propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167845719
N-[4-(1H-indol-3-yl)butyl]acetamide
CID 132534601
N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide
CID 4144351
2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 109247506
N-[3-(5-hydroxy-1H-indol-3-yl)propyl]benzamide
CID 18360710
N-[2-(1H-indol-3-yl)ethyl]-3-(1H-pyrazol-5-yl)benzamide
CID 119058397
N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228227

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)propyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[3-(1H-indol-3-yl)propyl]pyrimidine-5-carboxamide (CID 167952935) is N-[3-(1H-indol-3-yl)propyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)propyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)propyl]pyrimidine-5-carboxamide is O=C(NCCCc1c[nH]c2ccccc12)c1cncnc1.
What is the InChIKey of N-[3-(1H-indol-3-yl)propyl]pyrimidine-5-carboxamide?
The InChIKey is HLIMISGTTJIOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c21-16(13-8-17-11-18-9-13)19-7-3-4-12-10-20-15-6-2-1-5-14(12)15/h1-2,5-6,8-11,20H,3-4,7H2,(H,19,21).
What are the key properties of N-[3-(1H-indol-3-yl)propyl]pyrimidine-5-carboxamide?
N-[3-(1H-indol-3-yl)propyl]pyrimidine-5-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)propyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 167952935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).