N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]naphthalene-1-carboxamide

C26H30N4O — CID 54597079

IUPACN-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]naphthalene-1-carboxamide
SMILESCc1nc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C26H30N4O/c1-18-7-6-15-30(18)21-14-16-29(17-21)25-13-12-24(19(2)27-25)28-26(31)23-11-5-9-20-8-3-4-10-22(20)23/h3-5,8-13,18,21H,6-7,14-17H2,1-2H3,(H,28,31)/t18-,21-/m0/s1
InChIKeyDQAFPKXWJXFNJL-RXVVDRJESA-N
MW414.55 g/mol
LogP4.86
Rot. Bonds4

About N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]naphthalene-1-carboxamide

N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]naphthalene-1-carboxamide (PubChem CID 54597079) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]naphthalene-1-carboxamide
PubChem CID54597079
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC NameN-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]naphthalene-1-carboxamide
SMILESCc1nc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C26H30N4O/c1-18-7-6-15-30(18)21-14-16-29(17-21)25-13-12-24(19(2)27-25)28-26(31)23-11-5-9-20-8-3-4-10-22(20)23/h3-5,8-13,18,21H,6-7,14-17H2,1-2H3,(H,28,31)/t18-,21-/m0/s1
InChIKeyDQAFPKXWJXFNJL-RXVVDRJESA-N
XLogP4.86
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]naphthalene-1-carboxamide (CID 54597079) is N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]naphthalene-1-carboxamide is Cc1nc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]naphthalene-1-carboxamide?
The InChIKey is DQAFPKXWJXFNJL-RXVVDRJESA-N. The full InChI is InChI=1S/C26H30N4O/c1-18-7-6-15-30(18)21-14-16-29(17-21)25-13-12-24(19(2)27-25)28-26(31)23-11-5-9-20-8-3-4-10-22(20)23/h3-5,8-13,18,21H,6-7,14-17H2,1-2H3,(H,28,31)/t18-,21-/m0/s1.
What are the key properties of N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]naphthalene-1-carboxamide?
N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]naphthalene-1-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]naphthalene-1-carboxamide is sourced from PubChem (CID 54597079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).