N-[(2R)-2-[4-(1H-indol-4-yl)piperazin-1-yl]propyl]-N-pyridin-2-ylbicyclo[2.2.1]heptane-7-carboxamide

C28H35N5O — CID 69434230

IUPACN-[(2R)-2-[4-(1H-indol-4-yl)piperazin-1-yl]propyl]-N-pyridin-2-ylbicyclo[2.2.1]heptane-7-carboxamide
SMILESC[C@H](CN(C(=O)C1C2CCC1CC2)c1ccccn1)N1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C28H35N5O/c1-20(31-15-17-32(18-16-31)25-6-4-5-24-23(25)12-14-29-24)19-33(26-7-2-3-13-30-26)28(34)27-21-8-9-22(27)11-10-21/h2-7,12-14,20-22,27,29H,8-11,15-19H2,1H3/t20-,21?,22?,27?/m1/s1
InChIKeyKBDNDBQEXOLIGP-LXZDVPALSA-N
MW457.62 g/mol
LogP4.54
Rot. Bonds6

About N-[(2R)-2-[4-(1H-indol-4-yl)piperazin-1-yl]propyl]-N-pyridin-2-ylbicyclo[2.2.1]heptane-7-carboxamide

N-[(2R)-2-[4-(1H-indol-4-yl)piperazin-1-yl]propyl]-N-pyridin-2-ylbicyclo[2.2.1]heptane-7-carboxamide (PubChem CID 69434230) has the molecular formula C28H35N5O and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[(2R)-2-[4-(1H-indol-4-yl)piperazin-1-yl]propyl]-N-pyridin-2-ylbicyclo[2.2.1]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[4-(1H-indol-4-yl)piperazin-1-yl]propyl]-N-pyridin-2-ylbicyclo[2.2.1]heptane-7-carboxamide
PubChem CID69434230
Molecular FormulaC28H35N5O
Molecular Weight457.62 g/mol
Exact Mass457.28
IUPAC NameN-[(2R)-2-[4-(1H-indol-4-yl)piperazin-1-yl]propyl]-N-pyridin-2-ylbicyclo[2.2.1]heptane-7-carboxamide
SMILESC[C@H](CN(C(=O)C1C2CCC1CC2)c1ccccn1)N1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C28H35N5O/c1-20(31-15-17-32(18-16-31)25-6-4-5-24-23(25)12-14-29-24)19-33(26-7-2-3-13-30-26)28(34)27-21-8-9-22(27)11-10-21/h2-7,12-14,20-22,27,29H,8-11,15-19H2,1H3/t20-,21?,22?,27?/m1/s1
InChIKeyKBDNDBQEXOLIGP-LXZDVPALSA-N
XLogP4.54
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[4-(1H-indol-4-yl)piperazin-1-yl]propyl]-N-pyridin-2-ylbicyclo[2.2.1]heptane-7-carboxamide?
The IUPAC name of N-[(2R)-2-[4-(1H-indol-4-yl)piperazin-1-yl]propyl]-N-pyridin-2-ylbicyclo[2.2.1]heptane-7-carboxamide (CID 69434230) is N-[(2R)-2-[4-(1H-indol-4-yl)piperazin-1-yl]propyl]-N-pyridin-2-ylbicyclo[2.2.1]heptane-7-carboxamide.
What is the SMILES notation for N-[(2R)-2-[4-(1H-indol-4-yl)piperazin-1-yl]propyl]-N-pyridin-2-ylbicyclo[2.2.1]heptane-7-carboxamide?
The canonical SMILES for N-[(2R)-2-[4-(1H-indol-4-yl)piperazin-1-yl]propyl]-N-pyridin-2-ylbicyclo[2.2.1]heptane-7-carboxamide is C[C@H](CN(C(=O)C1C2CCC1CC2)c1ccccn1)N1CCN(c2cccc3[nH]ccc23)CC1.
What is the InChIKey of N-[(2R)-2-[4-(1H-indol-4-yl)piperazin-1-yl]propyl]-N-pyridin-2-ylbicyclo[2.2.1]heptane-7-carboxamide?
The InChIKey is KBDNDBQEXOLIGP-LXZDVPALSA-N. The full InChI is InChI=1S/C28H35N5O/c1-20(31-15-17-32(18-16-31)25-6-4-5-24-23(25)12-14-29-24)19-33(26-7-2-3-13-30-26)28(34)27-21-8-9-22(27)11-10-21/h2-7,12-14,20-22,27,29H,8-11,15-19H2,1H3/t20-,21?,22?,27?/m1/s1.
What are the key properties of N-[(2R)-2-[4-(1H-indol-4-yl)piperazin-1-yl]propyl]-N-pyridin-2-ylbicyclo[2.2.1]heptane-7-carboxamide?
N-[(2R)-2-[4-(1H-indol-4-yl)piperazin-1-yl]propyl]-N-pyridin-2-ylbicyclo[2.2.1]heptane-7-carboxamide has a molecular weight of 457.62 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[4-(1H-indol-4-yl)piperazin-1-yl]propyl]-N-pyridin-2-ylbicyclo[2.2.1]heptane-7-carboxamide is sourced from PubChem (CID 69434230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).